Property:Molfile
From ChemWiki
1
-INDIGO-08112313202D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 11 8 0 0 0
M V30 BEGIN ATOM
M V30 1 Cl 5.85991 -4.47939 0.0 0
M V30 2 O 5.02832 -4.47939 0.0 0
M V30 3 O 5.86723 -3.65532 0.0 0
M V30 4 O 6.74625 -4.48672 0.0 0
M V30 5 O 5.85991 -5.31088 0.0 0 CHG=-1
M V30 6 Cl 10.3764 -4.54882 0.0 0
M V30 7 O 9.53063 -4.54882 0.0 0
M V30 8 O 10.3839 -3.71065 0.0 0
M V30 9 O 11.1931 -4.55661 0.0 0
M V30 10 O 10.3764 -5.39468 0.0 0 CHG=-1
M V30 11 Co 7.8 -4.45 0.0 0 CHG=2
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 2 1 3
M V30 3 2 1 4
M V30 4 1 1 5
M V30 5 2 6 7
M V30 6 2 6 8
M V30 7 2 6 9
M V30 8 1 6 10
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-11172313202D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.25899 -8.02499 0.0 0
M V30 2 C 3.25899 -9.02501 0.0 0
M V30 3 N 4.125 -9.52501 0.0 0
M V30 4 C 4.99101 -9.02501 0.0 0
M V30 5 C 4.99101 -8.02499 0.0 0
M V30 6 C 4.125 -7.52499 0.0 0 CHG=1
M V30 7 C 2.39529 -9.52292 0.0 0
M V30 8 C 1.52891 -9.02305 0.0 0
M V30 9 C 2.38914 -7.52312 0.0 0
M V30 10 C 1.52671 -8.02806 0.0 0
M V30 11 C 5.85471 -7.52708 0.0 0
M V30 12 C 6.72109 -8.02695 0.0 0
M V30 13 C 5.86086 -9.52688 0.0 0
M V30 14 C 6.72329 -9.02194 0.0 0
M V30 15 C 4.125 -10.525 0.0 0
M V30 16 C 3.25897 -11.025 0.0 0
M V30 17 C 3.25897 -12.025 0.0 0
M V30 18 C 2.39295 -12.525 0.0 0
M V30 19 N 5.85536 -6.53012 0.0 0
M V30 20 C 4.99232 -6.03107 0.0 0
M V30 21 C 4.12863 -6.52899 0.0 0
M V30 22 C 3.25846 -6.01651 0.0 0
M V30 23 N 2.38888 -6.51888 0.0 0
M V30 24 C 3.2689 -5.03378 0.0 0
M V30 25 C 4.99268 -5.02992 0.0 0
M V30 26 C 4.12716 -4.53647 0.0 0
M V30 27 C 6.72172 -6.03069 0.0 0
M V30 28 C 7.58741 -6.53127 0.0 0
M V30 29 C 8.45377 -6.03184 0.0 0
M V30 30 C 9.31946 -6.53241 0.0 0
M V30 31 C 1.52272 -6.01911 0.0 0
M V30 32 C 1.52245 -5.01911 0.0 0
M V30 33 C 0.65629 -4.51935 0.0 0
M V30 34 C 0.656021 -3.51935 0.0 0
M V30 35 P 14.125 -6.75 0.0 0 CHG=-1
M V30 36 F 14.3838 -7.71593 0.0 0
M V30 37 F 14.8321 -6.04289 0.0 0
M V30 38 F 13.1591 -6.49118 0.0 0
M V30 39 F 13.8662 -5.78407 0.0 0
M V30 40 F 15.0909 -7.00882 0.0 0
M V30 41 F 13.4179 -7.45711 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 6
M V30 2 2 1 2
M V30 3 1 2 3
M V30 4 1 3 4
M V30 5 2 4 5
M V30 6 1 5 6
M V30 7 2 8 7
M V30 8 1 1 9
M V30 9 1 7 2
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 4 13
M V30 14 1 11 5
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 3 15
M V30 18 1 15 16
M V30 19 1 16 17
M V30 20 1 17 18
M V30 21 1 11 19
M V30 22 1 19 20
M V30 23 2 20 21
M V30 24 1 21 6
M V30 25 1 22 23
M V30 26 1 23 9
M V30 27 2 24 22
M V30 28 1 20 25
M V30 29 2 25 26
M V30 30 1 26 24
M V30 31 1 22 21
M V30 32 1 19 27
M V30 33 1 27 28
M V30 34 1 28 29
M V30 35 1 29 30
M V30 36 1 23 31
M V30 37 1 31 32
M V30 38 1 32 33
M V30 39 1 33 34
M V30 40 1 35 36
M V30 41 1 35 37
M V30 42 1 35 38
M V30 43 1 35 39
M V30 44 1 35 40
M V30 45 1 35 41
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11172313372D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 3 2 0 0 0
M V30 BEGIN ATOM
M V30 1 Co 9.475 -6.35 0.0 0 CHG=2
M V30 2 Cl 10.1821 -7.05711 0.0 0 CHG=-1
M V30 3 Cl 9.73382 -5.38407 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 1 3
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-02282410352D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 61 68 0 0 0
M V30 BEGIN ATOM
M V30 1 N 6.00187 -5.51144 0.0 0
M V30 2 C 5.53652 -6.31745 0.0 0
M V30 3 C 6.00187 -7.12346 0.0 0
M V30 4 S 6.93256 -7.12346 0.0 0
M V30 5 Cu 7.34293 -5.03789 0.0 0 CHG=1
M V30 6 C 5.19586 -5.97679 0.0 0
M V30 7 C 5.53652 -4.70543 0.0 0
M V30 8 C 6.00187 -3.89943 0.0 0
M V30 9 S 6.93256 -3.89943 0.0 0
M V30 10 C 6.07158 -6.28748 0.0 0
M V30 11 S 6.73798 -5.9152 0.0 0
M V30 12 N 12.1667 -5.46491 0.0 0
M V30 13 C 12.5929 -6.37216 0.0 0
M V30 14 C 12.1434 -7.04674 0.0 0
M V30 15 N 11.2445 -7.07 0.0 0
M V30 16 Co 10.8427 -5.10143 0.0 0 CHG=2
M V30 17 C 13.0041 -5.91434 0.0 0
M V30 18 C 12.5231 -4.65073 0.0 0
M V30 19 C 12.1202 -3.88308 0.0 0
M V30 20 N 11.2213 -3.88308 0.0 0
M V30 21 C 12.1793 -6.28577 0.0 0
M V30 22 N 11.4814 -5.95268 0.0 0
M V30 23 C 7.39791 -3.09342 0.0 0
M V30 24 C 8.22719 -2.76768 0.0 0
M V30 25 C 9.03105 -1.37228 0.0 0
M V30 26 C 8.22683 -1.83632 0.0 0
M V30 27 C 9.83813 -1.83753 0.0 0
M V30 28 C 9.03749 -3.23478 0.0 0
M V30 29 C 9.84053 -2.7642 0.0 0
M V30 30 C 10.6698 -3.04341 0.0 0
M V30 31 C 7.30484 -8.20867 0.0 0
M V30 32 C 8.27363 -8.68222 0.0 0
M V30 33 C 9.88401 -8.6807 0.0 0
M V30 34 C 9.08003 -8.21624 0.0 0
M V30 35 C 9.88464 -9.61228 0.0 0
M V30 36 C 8.27425 -9.61749 0.0 0
M V30 37 C 9.08331 -10.0777 0.0 0
M V30 38 C 8.26797 -6.41894 0.0 0
M V30 39 C 9.87836 -6.41849 0.0 0
M V30 40 C 9.07469 -5.9535 0.0 0
M V30 41 C 9.87836 -7.35006 0.0 0
M V30 42 C 8.26797 -7.35424 0.0 0
M V30 43 C 9.07672 -7.81494 0.0 0
M V30 44 C 7.58501 -6.38085 0.0 0
M V30 45 C 10.5996 -6.41849 0.0 0
M V30 46 C 10.69 -8.21535 0.0 0
M V30 47 Cl 13.95 -2.275 0.0 0
M V30 48 O 13.95 -1.275 0.0 0
M V30 49 O 12.95 -2.275 0.0 0
M V30 50 O 14.95 -2.275 0.0 0 CHG=-1
M V30 51 O 13.95 -3.275 0.0 0
M V30 52 Cl 13.875 -8.75 0.0 0
M V30 53 O 13.875 -7.75 0.0 0
M V30 54 O 12.875 -8.75 0.0 0
M V30 55 O 14.875 -8.75 0.0 0 CHG=-1
M V30 56 O 13.875 -9.75 0.0 0
M V30 57 B 4.225 -2.15 0.0 0 CHG=-1
M V30 58 F 5.225 -2.15 0.0 0
M V30 59 F 3.225 -2.15 0.0 0
M V30 60 F 4.225 -1.15 0.0 0
M V30 61 F 4.225 -3.15 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 10 1 5
M V30 5 1 1 6 CFG=1
M V30 6 1 1 7 CFG=3
M V30 7 1 7 8
M V30 8 1 8 9
M V30 9 10 9 5
M V30 10 1 6 10
M V30 11 1 10 11
M V30 12 10 11 5
M V30 13 10 4 5
M V30 14 1 12 13
M V30 15 1 13 14
M V30 16 1 14 15
M V30 17 10 12 16
M V30 18 1 12 17 CFG=1
M V30 19 1 12 18 CFG=3
M V30 20 1 18 19
M V30 21 1 19 20
M V30 22 10 20 16
M V30 23 1 17 21
M V30 24 1 21 22
M V30 25 10 22 16
M V30 26 10 15 16
M V30 27 1 9 23
M V30 28 1 23 24
M V30 29 2 26 24
M V30 30 2 27 25
M V30 31 1 24 28
M V30 32 1 25 26
M V30 33 2 28 29
M V30 34 1 29 27
M V30 35 1 29 30
M V30 36 1 4 31
M V30 37 1 31 32
M V30 38 2 34 32
M V30 39 2 35 33
M V30 40 1 32 36
M V30 41 1 33 34
M V30 42 2 36 37
M V30 43 1 37 35
M V30 44 2 40 38
M V30 45 2 41 39
M V30 46 1 38 42
M V30 47 1 39 40
M V30 48 2 42 43
M V30 49 1 43 41
M V30 50 1 38 44
M V30 51 1 44 11
M V30 52 1 30 20
M V30 53 1 39 45
M V30 54 1 45 22
M V30 55 1 33 46
M V30 56 1 46 15
M V30 57 2 47 48
M V30 58 2 47 49
M V30 59 1 47 50
M V30 60 2 47 51
M V30 61 2 52 53
M V30 62 2 52 54
M V30 63 1 52 55
M V30 64 2 52 56
M V30 65 1 57 58
M V30 66 1 57 59
M V30 67 1 57 60
M V30 68 1 57 61
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11272314332D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 43 51 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.33485 -0.200074 0.0 0
M V30 2 C 8.06515 -0.199589 0.0 0
M V30 3 C 7.20164 0.300033 0.0 0
M V30 4 C 8.06515 -1.20053 0.0 0
M V30 5 C 6.33485 -1.20502 0.0 0
M V30 6 C 7.20382 -1.70003 0.0 0 CHG=-1
M V30 7 C 5.46882 -1.70502 0.0 0
M V30 8 C 4.6051 -3.20433 0.0 0
M V30 9 N 5.46921 -2.70573 0.0 0
M V30 10 C 3.73792 -2.70444 0.0 0
M V30 11 C 4.59818 -1.20313 0.0 0
M V30 12 C 3.73534 -1.70875 0.0 0
M V30 13 F 5.4689 0.30005 0.0 0
M V30 14 F 8.93141 0.300008 0.0 0
M V30 15 C 10.7482 -4.56624 0.0 0
M V30 16 C 9.88344 -6.06497 0.0 0
M V30 17 C 10.7479 -5.56696 0.0 0
M V30 18 C 9.0166 -5.5645 0.0 0
M V30 19 C 9.87787 -4.06377 0.0 0
M V30 20 C 9.01469 -4.56881 0.0 0 CHG=-1
M V30 21 C 9.87787 -3.06377 0.0 0
M V30 22 C 9.01129 -1.56611 0.0 0
M V30 23 N 9.01103 -2.56374 0.0 0
M V30 24 C 9.8778 -1.06505 0.0 0
M V30 25 C 10.7478 -2.56071 0.0 0
M V30 26 C 10.7414 -1.56066 0.0 0
M V30 27 F 11.6143 -4.06637 0.0 0
M V30 28 F 9.88298 -7.06497 0.0 0
M V30 29 C 4.66173 -6.18724 0.0 0
M V30 30 C 3.79616 -4.689 0.0 0
M V30 31 C 3.79523 -5.68664 0.0 0
M V30 32 C 4.663 -4.18853 0.0 0
M V30 33 C 5.53204 -5.68477 0.0 0
M V30 34 C 5.52625 -4.68471 0.0 0 CHG=-1
M V30 35 C 6.39806 -6.18477 0.0 0
M V30 36 C 8.12836 -6.18312 0.0 0
M V30 37 N 7.26452 -5.68408 0.0 0
M V30 38 C 8.12903 -7.18407 0.0 0
M V30 39 C 6.39874 -7.18971 0.0 0
M V30 40 C 7.26804 -7.68414 0.0 0
M V30 41 F 4.66158 -7.18724 0.0 0
M V30 42 F 2.93037 -4.1886 0.0 0
M V30 43 Ir 7.21023 -3.58073 0.0 0 CHG=3
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 5 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 1 1 13
M V30 15 1 2 14
M V30 16 2 17 15
M V30 17 2 18 16
M V30 18 1 15 19
M V30 19 1 16 17
M V30 20 2 19 20
M V30 21 1 20 18
M V30 22 1 19 21
M V30 23 2 23 21
M V30 24 2 24 22
M V30 25 1 21 25
M V30 26 1 22 23
M V30 27 2 25 26
M V30 28 1 26 24
M V30 29 1 15 27
M V30 30 1 16 28
M V30 31 2 31 29
M V30 32 2 32 30
M V30 33 1 29 33
M V30 34 1 30 31
M V30 35 2 33 34
M V30 36 1 34 32
M V30 37 1 33 35
M V30 38 2 37 35
M V30 39 2 38 36
M V30 40 1 35 39
M V30 41 1 36 37
M V30 42 2 39 40
M V30 43 1 40 38
M V30 44 1 29 41
M V30 45 1 30 42
M V30 46 10 9 43
M V30 47 10 6 43
M V30 48 10 43 34
M V30 49 10 43 37
M V30 50 10 43 20
M V30 51 10 43 23
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11272314442D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 76 88 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.75985 -5.47507 0.0 0
M V30 2 C 6.49015 -5.47459 0.0 0
M V30 3 C 5.62664 -4.97497 0.0 0
M V30 4 C 6.49015 -6.47553 0.0 0
M V30 5 C 4.75985 -6.48002 0.0 0
M V30 6 C 5.62882 -6.97503 0.0 0
M V30 7 C 5.6282 -3.9804 0.0 0
M V30 8 C 6.4927 -3.48202 0.0 0
M V30 9 N 7.3581 -4.97422 0.0 0
M V30 10 C 7.35297 -3.97724 0.0 0
M V30 11 N 7.35042 -6.97074 0.0 0
M V30 12 C 7.35263 -7.96665 0.0 0
M V30 13 C 5.63103 -7.97493 0.0 0
M V30 14 C 6.49673 -8.46554 0.0 0
M V30 15 C 4.76217 -3.4804 0.0 0
M V30 16 C 3.03187 -3.48205 0.0 0
M V30 17 C 3.89572 -3.98109 0.0 0
M V30 18 C 3.0312 -2.4811 0.0 0
M V30 19 C 4.7615 -2.47545 0.0 0
M V30 20 C 3.8922 -1.98102 0.0 0
M V30 21 C 4.765 -8.47493 0.0 0
M V30 22 C 3.90128 -9.97424 0.0 0
M V30 23 C 4.76539 -9.47564 0.0 0
M V30 24 C 3.0341 -9.47435 0.0 0
M V30 25 C 3.89436 -7.97304 0.0 0
M V30 26 C 3.03152 -8.47866 0.0 0
M V30 27 C 13.925 -6.05001 0.0 0
M V30 28 C 13.425 -5.18397 0.0 0
M V30 29 C 12.425 -5.18396 0.0 0
M V30 30 O 11.925 -6.04999 0.0 0
M V30 31 C 12.425 -6.91603 0.0 0
M V30 32 C 13.425 -6.91604 0.0 0
M V30 33 C 11.9271 -4.32028 0.0 0
M V30 34 C 12.427 -3.45393 0.0 0
M V30 35 C 13.9269 -4.31416 0.0 0
M V30 36 C 13.4219 -3.45174 0.0 0
M V30 37 C 13.9229 -7.77972 0.0 0
M V30 38 C 13.423 -8.64607 0.0 0
M V30 39 C 11.9231 -7.78584 0.0 0
M V30 40 C 12.4281 -8.64826 0.0 0
M V30 41 P 10.9271 -4.32009 0.0 0
M V30 42 P 10.9231 -7.78902 0.0 0
M V30 43 C 11.1859 -3.35416 0.0 0
M V30 44 C 10.7365 -1.68325 0.0 0
M V30 45 C 10.478 -2.64682 0.0 0
M V30 46 C 11.7032 -1.42354 0.0 0
M V30 47 C 12.1564 -3.09341 0.0 0
M V30 48 C 12.409 -2.12576 0.0 0
M V30 49 C 10.0611 -3.82009 0.0 0
M V30 50 C 8.33077 -3.82174 0.0 0
M V30 51 C 9.19462 -4.32078 0.0 0
M V30 52 C 8.3301 -2.82079 0.0 0
M V30 53 C 10.0604 -2.81514 0.0 0
M V30 54 C 9.1911 -2.32071 0.0 0
M V30 55 C 11.182 -8.75494 0.0 0
M V30 56 C 10.0571 -8.28902 0.0 0
M V30 57 C 12.4066 -9.9773 0.0 0
M V30 58 C 12.1487 -9.01358 0.0 0
M V30 59 C 11.6993 -10.6855 0.0 0
M V30 60 C 10.4718 -9.46602 0.0 0
M V30 61 C 10.7369 -10.4303 0.0 0
M V30 62 C 9.1934 -9.78832 0.0 0
M V30 63 C 10.0575 -9.28973 0.0 0
M V30 64 C 8.32622 -9.28843 0.0 0
M V30 65 C 9.18648 -7.78713 0.0 0
M V30 66 C 8.32364 -8.29275 0.0 0
M V30 67 C 14.6321 -5.3429 0.0 0
M V30 68 C 14.6321 -6.75712 0.0 0
M V30 69 Cu 8.52413 -5.87422 0.0 0 CHG=1
M V30 70 P 15.625 -2.175 0.0 0 CHG=-1
M V30 71 F 15.625 -1.175 0.0 0
M V30 72 F 14.759 -2.675 0.0 0
M V30 73 F 16.491 -2.675 0.0 0
M V30 74 F 16.491 -1.675 0.0 0
M V30 75 F 15.625 -3.175 0.0 0
M V30 76 F 14.759 -1.675 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 8 7
M V30 8 1 2 9
M V30 9 1 7 3
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 6 13
M V30 14 1 11 4
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 7 15
M V30 18 2 17 15
M V30 19 2 18 16
M V30 20 1 15 19
M V30 21 1 16 17
M V30 22 2 19 20
M V30 23 1 20 18
M V30 24 1 13 21
M V30 25 2 23 21
M V30 26 2 24 22
M V30 27 1 21 25
M V30 28 1 22 23
M V30 29 2 25 26
M V30 30 1 26 24
M V30 31 1 27 32
M V30 32 1 27 28
M V30 33 2 28 29
M V30 34 1 29 30
M V30 35 1 30 31
M V30 36 2 31 32
M V30 37 2 34 33
M V30 38 1 28 35
M V30 39 1 33 29
M V30 40 2 35 36
M V30 41 1 36 34
M V30 42 2 38 37
M V30 43 1 31 39
M V30 44 1 37 32
M V30 45 2 39 40
M V30 46 1 40 38
M V30 47 1 33 41
M V30 48 1 39 42
M V30 49 1 41 43
M V30 50 2 45 43
M V30 51 2 46 44
M V30 52 1 43 47
M V30 53 1 44 45
M V30 54 2 47 48
M V30 55 1 48 46
M V30 56 1 41 49
M V30 57 2 51 49
M V30 58 2 52 50
M V30 59 1 49 53
M V30 60 1 50 51
M V30 61 2 53 54
M V30 62 1 54 52
M V30 63 1 42 55
M V30 64 1 42 56
M V30 65 2 58 55
M V30 66 2 59 57
M V30 67 1 55 60
M V30 68 1 57 58
M V30 69 2 60 61
M V30 70 1 61 59
M V30 71 2 63 56
M V30 72 2 64 62
M V30 73 1 56 65
M V30 74 1 62 63
M V30 75 2 65 66
M V30 76 1 66 64
M V30 77 1 27 67
M V30 78 1 27 68
M V30 79 10 9 69
M V30 80 10 11 69
M V30 81 10 69 42
M V30 82 10 69 41
M V30 83 1 70 71
M V30 84 1 70 72
M V30 85 1 70 73
M V30 86 1 70 74
M V30 87 1 70 75
M V30 88 1 70 76
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11272317292D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 94 101 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.78099 -3.3419 0.0 0
M V30 2 C 10.0211 -2.45639 0.0 0
M V30 3 C 9.10163 -2.42979 0.0 0
M V30 4 C 10.2692 -3.39536 0.0 0
M V30 5 N 9.50464 -3.95747 0.0 0
M V30 6 C 7.60402 -4.50845 0.0 0
M V30 7 C 7.57292 -6.03612 0.0 0
M V30 8 N 8.18285 -5.29976 0.0 0
M V30 9 C 6.68057 -5.71071 0.0 0
M V30 10 C 6.71902 -4.76895 0.0 0
M V30 11 C 11.2549 -4.53654 0.0 0
M V30 12 C 12.1035 -5.77482 0.0 0
M V30 13 C 12.1224 -4.8497 0.0 0
M V30 14 C 11.1545 -6.08373 0.0 0
M V30 15 N 10.5676 -5.33906 0.0 0
M V30 16 C 9.82384 -8.11882 0.0 0
M V30 17 C 8.62031 -7.18965 0.0 0
M V30 18 C 8.90362 -8.11298 0.0 0
M V30 19 N 9.41945 -6.55587 0.0 0
M V30 20 C 10.1413 -7.15373 0.0 0
M V30 21 C 7.88955 -3.58078 0.0 0
M V30 22 C 11.074 -3.66582 0.0 0
M V30 23 C 10.9378 -6.93751 0.0 0
M V30 24 C 7.78634 -6.94247 0.0 0
M V30 25 C 7.15184 -2.76646 0.0 0
M V30 26 C 11.8954 -2.90477 0.0 0
M V30 27 C 11.6874 -7.6923 0.0 0
M V30 28 C 6.9877 -7.64873 0.0 0
M V30 29 C 6.4543 -9.31776 0.0 0
M V30 30 C 7.20022 -8.6336 0.0 0
M V30 31 C 5.48523 -9.0111 0.0 0
M V30 32 C 6.02735 -7.34146 0.0 0
M V30 33 C 5.27399 -8.01749 0.0 0
M V30 34 C 13.3904 -8.12979 0.0 0
M V30 35 C 12.6706 -7.42257 0.0 0
M V30 36 C 13.1368 -9.1182 0.0 0
M V30 37 C 11.4316 -8.6747 0.0 0
M V30 38 C 12.1598 -9.3913 0.0 0
M V30 39 C 12.367 -1.20306 0.0 0
M V30 40 C 11.6405 -1.91492 0.0 0
M V30 41 C 13.344 -1.47099 0.0 0
M V30 42 C 12.8844 -3.16954 0.0 0
M V30 43 C 13.6031 -2.44978 0.0 0
M V30 44 C 5.49908 -2.20731 0.0 0
M V30 45 C 6.16725 -2.96668 0.0 0
M V30 46 C 5.82316 -1.25706 0.0 0
M V30 47 C 7.47266 -1.8083 0.0 0
M V30 48 C 6.81208 -1.05868 0.0 0
M V30 49 N 5.1819 -0.481731 0.0 0 CHG=1
M V30 50 N 14.0515 -0.710863 0.0 0 CHG=1
M V30 51 N 13.8793 -9.85136 0.0 0 CHG=1
M V30 52 N 4.71503 -9.70308 0.0 0 CHG=1
M V30 53 C 4.58575 0.317025 0.0 0
M V30 54 C 4.40212 -1.0818 0.0 0
M V30 55 C 5.94743 0.103565 0.0 0
M V30 56 C 14.8118 -1.34958 0.0 0
M V30 57 C 14.6931 0.0707503 0.0 0
M V30 58 C 13.3291 -0.0844987 0.0 0
M V30 59 C 13.2029 -10.5391 0.0 0
M V30 60 C 14.5706 -9.15078 0.0 0
M V30 61 C 14.603 -10.5625 0.0 0
M V30 62 C 3.96742 -10.3581 0.0 0
M V30 63 C 5.36796 -10.4383 0.0 0
M V30 64 C 4.08094 -8.98368 0.0 0
M V30 65 Fe 9.41933 -5.27583 0.0 0 CHG=3
M V30 66 Cl 8.71222 -4.56872 0.0 0 CHG=-1
M V30 67 P 16.8795 -0.6875 0.0 0 CHG=-1
M V30 68 F 17.7455 -0.1875 0.0 0
M V30 69 F 16.0135 -0.1875 0.0 0
M V30 70 F 16.8795 -1.6875 0.0 0
M V30 71 F 16.0135 -1.1875 0.0 0
M V30 72 F 16.8795 0.3125 0.0 0
M V30 73 F 17.7455 -1.1875 0.0 0
M V30 74 P 16.6875 -9.9375 0.0 0 CHG=-1
M V30 75 F 17.5535 -9.4375 0.0 0
M V30 76 F 15.8215 -9.4375 0.0 0
M V30 77 F 16.6875 -10.9375 0.0 0
M V30 78 F 15.8215 -10.4375 0.0 0
M V30 79 F 16.6875 -8.9375 0.0 0
M V30 80 F 17.5535 -10.4375 0.0 0
M V30 81 P 2.1875 -9.6875 0.0 0 CHG=-1
M V30 82 F 3.05353 -9.1875 0.0 0
M V30 83 F 1.32147 -9.1875 0.0 0
M V30 84 F 2.1875 -10.6875 0.0 0
M V30 85 F 1.32147 -10.1875 0.0 0
M V30 86 F 2.1875 -8.6875 0.0 0
M V30 87 F 3.05353 -10.1875 0.0 0
M V30 88 P 2.5375 -0.33125 0.0 0 CHG=-1
M V30 89 F 3.40353 0.16875 0.0 0
M V30 90 F 1.67147 0.16875 0.0 0
M V30 91 F 2.5375 -1.33125 0.0 0
M V30 92 F 1.67147 -0.83125 0.0 0
M V30 93 F 2.5375 0.66875 0.0 0
M V30 94 F 3.40353 -0.83125 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 5
M V30 2 2 2 3
M V30 3 1 3 1
M V30 4 1 4 2
M V30 5 1 5 4
M V30 6 1 6 10
M V30 7 1 7 8
M V30 8 1 8 6
M V30 9 1 9 7
M V30 10 2 10 9
M V30 11 1 11 15
M V30 12 1 12 13
M V30 13 2 13 11
M V30 14 2 14 12
M V30 15 1 15 14
M V30 16 1 16 20
M V30 17 1 17 18
M V30 18 2 18 16
M V30 19 2 19 17
M V30 20 1 20 19
M V30 21 1 1 21
M V30 22 2 21 6
M V30 23 2 4 22
M V30 24 1 22 11
M V30 25 1 14 23
M V30 26 2 23 20
M V30 27 1 17 24
M V30 28 2 24 7
M V30 29 1 21 25
M V30 30 1 22 26
M V30 31 1 23 27
M V30 32 1 24 28
M V30 33 2 30 28
M V30 34 2 31 29
M V30 35 1 28 32
M V30 36 1 29 30
M V30 37 2 32 33
M V30 38 1 33 31
M V30 39 2 35 27
M V30 40 2 36 34
M V30 41 1 27 37
M V30 42 1 34 35
M V30 43 2 37 38
M V30 44 1 38 36
M V30 45 2 40 26
M V30 46 2 41 39
M V30 47 1 26 42
M V30 48 1 39 40
M V30 49 2 42 43
M V30 50 1 43 41
M V30 51 2 45 25
M V30 52 2 46 44
M V30 53 1 25 47
M V30 54 1 44 45
M V30 55 2 47 48
M V30 56 1 48 46
M V30 57 1 46 49
M V30 58 1 41 50
M V30 59 1 36 51
M V30 60 1 31 52
M V30 61 1 49 53
M V30 62 1 49 54
M V30 63 1 49 55
M V30 64 1 50 56
M V30 65 1 50 57
M V30 66 1 50 58
M V30 67 1 51 59
M V30 68 1 51 60
M V30 69 1 51 61
M V30 70 1 52 62
M V30 71 1 52 63
M V30 72 1 52 64
M V30 73 8 5 65
M V30 74 8 8 65
M V30 75 8 15 65
M V30 76 8 19 65
M V30 77 10 65 66
M V30 78 1 67 68
M V30 79 1 67 69
M V30 80 1 67 70
M V30 81 1 67 71
M V30 82 1 67 72
M V30 83 1 67 73
M V30 84 1 74 75
M V30 85 1 74 76
M V30 86 1 74 77
M V30 87 1 74 78
M V30 88 1 74 79
M V30 89 1 74 80
M V30 90 1 81 82
M V30 91 1 81 83
M V30 92 1 81 84
M V30 93 1 81 85
M V30 94 1 81 86
M V30 95 1 81 87
M V30 96 1 88 89
M V30 97 1 88 90
M V30 98 1 88 91
M V30 99 1 88 92
M V30 100 1 88 93
M V30 101 1 88 94
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11272318242D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 17 18 0 0 0
M V30 BEGIN ATOM
M V30 1 Cl 10.2 -3.675 0.0 0 CHG=-1
M V30 2 Cl 6.15 -3.675 0.0 0 CHG=-1
M V30 3 C 7.4 -3.6 0.0 0
M V30 4 N 7.4 -4.6 0.0 0
M V30 5 C 8.26603 -3.1 0.0 0
M V30 6 C 9.13205 -3.6 0.0 0
M V30 7 N 9.13205 -4.6 0.0 0
M V30 8 N 9.13205 -6.33205 0.0 0
M V30 9 C 9.13205 -7.33205 0.0 0
M V30 10 C 8.26603 -7.83205 0.0 0
M V30 11 C 7.4 -7.33205 0.0 0
M V30 12 N 7.4 -6.33205 0.0 0
M V30 13 Ni 8.20711 -5.45711 0.0 0 CHG=2
M V30 14 C 10.073 -4.95882 0.0 0
M V30 15 C 10.073 -5.95882 0.0 0
M V30 16 C 6.53397 -4.95 0.0 0
M V30 17 C 6.53397 -5.95 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 3 4
M V30 2 1 3 5
M V30 3 1 5 6
M V30 4 1 6 7
M V30 5 1 8 9
M V30 6 1 9 10
M V30 7 1 10 11
M V30 8 1 11 12
M V30 9 10 4 13
M V30 10 10 13 7
M V30 11 10 8 13
M V30 12 10 13 12
M V30 13 1 7 14
M V30 14 1 14 15
M V30 15 1 15 8
M V30 16 1 4 16
M V30 17 1 16 17
M V30 18 1 17 12
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-11272318382D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 87 96 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.50985 -1.20007 0.0 0
M V30 2 C 7.24015 -1.19959 0.0 0
M V30 3 C 6.37664 -0.699967 0.0 0
M V30 4 C 7.24015 -2.20053 0.0 0
M V30 5 C 5.50985 -2.20502 0.0 0
M V30 6 N 6.37882 -2.70003 0.0 0
M V30 7 C 8.10618 -2.70053 0.0 0
M V30 8 C 9.83648 -2.69889 0.0 0
M V30 9 C 8.97263 -2.19984 0.0 0
M V30 10 C 9.83715 -3.69983 0.0 0
M V30 11 N 8.10685 -3.70548 0.0 0
M V30 12 C 8.97615 -4.19991 0.0 0
M V30 13 N 8.13485 -5.60007 0.0 0
M V30 14 C 9.86515 -5.59959 0.0 0
M V30 15 C 9.00164 -5.09997 0.0 0
M V30 16 C 9.86515 -6.60053 0.0 0
M V30 17 C 8.13485 -6.60502 0.0 0
M V30 18 C 9.00382 -7.10003 0.0 0
M V30 19 C 7.26882 -7.10502 0.0 0
M V30 20 C 6.4051 -8.60433 0.0 0
M V30 21 C 7.26921 -8.10573 0.0 0
M V30 22 C 5.53792 -8.10444 0.0 0
M V30 23 N 6.39818 -6.60313 0.0 0
M V30 24 C 5.53534 -7.10875 0.0 0
M V30 25 C 2.70985 -5.62507 0.0 0
M V30 26 N 4.44015 -5.62459 0.0 0
M V30 27 C 3.57664 -5.12497 0.0 0
M V30 28 C 4.44015 -6.62553 0.0 0
M V30 29 C 2.70985 -6.63002 0.0 0
M V30 30 C 3.57882 -7.12503 0.0 0
M V30 31 C 3.57664 -4.12497 0.0 0
M V30 32 C 2.71006 -2.62731 0.0 0
M V30 33 C 2.7098 -3.62494 0.0 0
M V30 34 C 3.57657 -2.12625 0.0 0
M V30 35 N 4.44661 -3.62191 0.0 0
M V30 36 C 4.44015 -2.62186 0.0 0
M V30 37 C 10.7317 -7.0997 0.0 0
M V30 38 C 11.6452 -6.69299 0.0 0
M V30 39 N 12.3144 -7.43613 0.0 0
M V30 40 N 11.8144 -8.30215 0.0 0
M V30 41 N 10.8362 -8.0942 0.0 0
M V30 42 C 13.3089 -7.33159 0.0 0
M V30 43 C 13.8967 -8.1406 0.0 0
M V30 44 N 14.8912 -8.03605 0.0 0
M V30 45 C 14.6324 -7.07013 0.0 0
M V30 46 C 14.1841 -8.74316 0.0 0
M V30 47 C 15.3395 -6.36302 0.0 0
M V30 48 C 16.3054 -6.62184 0.0 0
M V30 49 N 16.5642 -7.58777 0.0 0
M V30 50 C 14.4429 -9.70909 0.0 0
M V30 51 C 17.5302 -7.84659 0.0 0
M V30 52 C 17.789 -8.81251 0.0 0
M V30 53 N 17.0819 -9.51962 0.0 0
M V30 54 N 15.4088 -9.96791 0.0 0
M V30 55 C 15.6677 -10.9338 0.0 0
M V30 56 C 17.3407 -10.4855 0.0 0
M V30 57 C 16.6336 -11.1927 0.0 0
M V30 58 Ru 6.35372 -4.55402 0.0 0 CHG=2
M V30 59 Ni 15.9572 -8.68605 0.0 0 CHG=2
M V30 60 P 11.967 -4.35 0.0 0 CHG=-1
M V30 61 F 12.833 -3.85 0.0 0
M V30 62 F 11.101 -3.85 0.0 0
M V30 63 F 11.967 -5.35 0.0 0
M V30 64 F 12.833 -4.85 0.0 0
M V30 65 F 11.967 -3.35 0.0 0
M V30 66 F 11.101 -4.85 0.0 0
M V30 67 P 3.75 -9.2 0.0 0 CHG=-1
M V30 68 F 4.61603 -8.7 0.0 0
M V30 69 F 2.88397 -8.7 0.0 0
M V30 70 F 3.75 -10.2 0.0 0
M V30 71 F 4.61603 -9.7 0.0 0
M V30 72 F 3.75 -8.2 0.0 0
M V30 73 F 2.88397 -9.7 0.0 0
M V30 74 P 18.0 -5.925 0.0 0 CHG=-1
M V30 75 F 18.866 -5.425 0.0 0
M V30 76 F 17.134 -5.425 0.0 0
M V30 77 F 18.0 -6.925 0.0 0
M V30 78 F 18.866 -6.425 0.0 0
M V30 79 F 18.0 -4.925 0.0 0
M V30 80 F 17.134 -6.425 0.0 0
M V30 81 P 13.6 -11.625 0.0 0 CHG=-1
M V30 82 F 14.466 -11.125 0.0 0
M V30 83 F 12.734 -11.125 0.0 0
M V30 84 F 13.6 -12.625 0.0 0
M V30 85 F 14.466 -12.125 0.0 0
M V30 86 F 13.6 -10.625 0.0 0
M V30 87 F 12.734 -12.125 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 4 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 17 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 27 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 1 16 37
M V30 41 2 37 38
M V30 42 1 38 39
M V30 43 1 39 40
M V30 44 2 40 41
M V30 45 1 41 37
M V30 46 1 39 42
M V30 47 1 42 43
M V30 48 1 43 44
M V30 49 1 44 45
M V30 50 1 44 46
M V30 51 1 45 47
M V30 52 1 47 48
M V30 53 1 48 49
M V30 54 1 46 50
M V30 55 1 49 51
M V30 56 1 51 52
M V30 57 1 52 53
M V30 58 1 50 54
M V30 59 1 54 55
M V30 60 1 53 56
M V30 61 1 56 57
M V30 62 1 57 55
M V30 63 10 35 58
M V30 64 10 58 6
M V30 65 10 11 58
M V30 66 10 58 13
M V30 67 10 23 58
M V30 68 10 58 26
M V30 69 10 44 59
M V30 70 10 59 49
M V30 71 10 59 53
M V30 72 10 54 59
M V30 73 1 60 61
M V30 74 1 60 62
M V30 75 1 60 63
M V30 76 1 60 64
M V30 77 1 60 65
M V30 78 1 60 66
M V30 79 1 67 68
M V30 80 1 67 69
M V30 81 1 67 70
M V30 82 1 67 71
M V30 83 1 67 72
M V30 84 1 67 73
M V30 85 1 74 75
M V30 86 1 74 76
M V30 87 1 74 77
M V30 88 1 74 78
M V30 89 1 74 79
M V30 90 1 74 80
M V30 91 1 81 82
M V30 92 1 81 83
M V30 93 1 81 84
M V30 94 1 81 85
M V30 95 1 81 86
M V30 96 1 81 87
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282310222D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 66 69 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.94527 -4.75029 0.0 0
M V30 2 N 6.23816 -5.4574 0.0 0
M V30 3 C 7.91119 -5.00912 0.0 0
M V30 4 C 8.17001 -5.97504 0.0 0
M V30 5 N 7.4629 -6.68215 0.0 0
M V30 6 N 6.23816 -7.90689 0.0 0
M V30 7 C 5.53105 -8.614 0.0 0
M V30 8 C 4.56513 -8.35518 0.0 0
M V30 9 C 4.30631 -7.38925 0.0 0
M V30 10 N 5.01341 -6.68215 0.0 0
M V30 11 Ni 6.2028 -6.63418 0.0 0 CHG=2
M V30 12 C 7.87453 -7.60122 0.0 0
M V30 13 C 7.16742 -8.30833 0.0 0
M V30 14 C 5.37829 -5.09251 0.0 0
M V30 15 C 4.67119 -5.79962 0.0 0
M V30 16 C 10.9159 -0.798244 0.0 0
M V30 17 N 10.2389 -1.4752 0.0 0
M V30 18 C 11.8406 -1.04603 0.0 0
M V30 19 C 12.0884 -1.97076 0.0 0
M V30 20 N 11.4114 -2.64771 0.0 0
M V30 21 N 10.2389 -3.82022 0.0 0
M V30 22 C 9.56196 -4.49717 0.0 0
M V30 23 C 8.38945 -3.32466 0.0 0
M V30 24 N 9.0664 -2.64771 0.0 0
M V30 25 Ni 10.2051 -2.60179 0.0 0 CHG=2
M V30 26 C 11.8055 -3.52759 0.0 0
M V30 27 C 11.1285 -4.20454 0.0 0
M V30 28 C 9.41572 -1.12587 0.0 0
M V30 29 C 8.73877 -1.80282 0.0 0
M V30 30 C 8.6183 -4.30201 0.0 0
M V30 31 C 6.68645 -3.78437 0.0 0
M V30 32 C 7.42775 -3.05052 0.0 0
M V30 33 C 9.84861 -5.45521 0.0 0
M V30 34 C 9.13593 -6.23386 0.0 0
M V30 35 S 15.625 -3.825 0.0 0
M V30 36 O 15.625 -4.825 0.0 0
M V30 37 O 16.625 -3.825 0.0 0 CHG=-1
M V30 38 C 14.625 -3.825 0.0 0
M V30 39 F 14.125 -2.95897 0.0 0
M V30 40 F 14.125 -4.69103 0.0 0
M V30 41 F 13.625 -3.825 0.0 0
M V30 42 O 15.625 -2.825 0.0 0
M V30 43 S 8.0 -0.175 0.0 0
M V30 44 O 8.0 -1.175 0.0 0
M V30 45 O 9.0 -0.175 0.0 0 CHG=-1
M V30 46 C 7.0 -0.175 0.0 0
M V30 47 F 6.5 0.691025 0.0 0
M V30 48 F 6.5 -1.04103 0.0 0
M V30 49 F 6.0 -0.175 0.0 0
M V30 50 O 8.0 0.825 0.0 0
M V30 51 S 4.4 -2.4 0.0 0
M V30 52 O 4.4 -3.4 0.0 0
M V30 53 O 5.4 -2.4 0.0 0 CHG=-1
M V30 54 C 3.4 -2.4 0.0 0
M V30 55 F 2.9 -1.53397 0.0 0
M V30 56 F 2.9 -3.26603 0.0 0
M V30 57 F 2.4 -2.4 0.0 0
M V30 58 O 4.4 -1.4 0.0 0
M V30 59 S 13.025 -7.075 0.0 0
M V30 60 O 13.025 -8.075 0.0 0
M V30 61 O 14.025 -7.075 0.0 0 CHG=-1
M V30 62 C 12.025 -7.075 0.0 0
M V30 63 F 11.525 -6.20897 0.0 0
M V30 64 F 11.525 -7.94103 0.0 0
M V30 65 F 11.025 -7.075 0.0 0
M V30 66 O 13.025 -6.075 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 1 3
M V30 3 1 3 4
M V30 4 1 4 5
M V30 5 1 6 7
M V30 6 1 7 8
M V30 7 1 8 9
M V30 8 1 9 10
M V30 9 10 2 11
M V30 10 10 11 5
M V30 11 10 6 11
M V30 12 10 11 10
M V30 13 1 5 12
M V30 14 1 12 13
M V30 15 1 13 6
M V30 16 1 2 14
M V30 17 1 14 15
M V30 18 1 15 10
M V30 19 1 16 17
M V30 20 1 16 18
M V30 21 1 18 19
M V30 22 1 19 20
M V30 23 1 21 22
M V30 24 1 23 24
M V30 25 10 17 25
M V30 26 10 25 20
M V30 27 10 21 25
M V30 28 10 25 24
M V30 29 1 20 26
M V30 30 1 26 27
M V30 31 1 27 21
M V30 32 1 17 28
M V30 33 1 28 29
M V30 34 1 29 24
M V30 35 1 3 30
M V30 36 1 30 23
M V30 37 1 22 30
M V30 38 1 1 31
M V30 39 1 23 32
M V30 40 1 22 33
M V30 41 1 4 34
M V30 42 2 35 36
M V30 43 1 35 37
M V30 44 1 35 38
M V30 45 1 38 39
M V30 46 1 38 40
M V30 47 1 38 41
M V30 48 2 35 42
M V30 49 2 43 44
M V30 50 1 43 45
M V30 51 1 43 46
M V30 52 1 46 47
M V30 53 1 46 48
M V30 54 1 46 49
M V30 55 2 43 50
M V30 56 2 51 52
M V30 57 1 51 53
M V30 58 1 51 54
M V30 59 1 54 55
M V30 60 1 54 56
M V30 61 1 54 57
M V30 62 2 51 58
M V30 63 2 59 60
M V30 64 1 59 61
M V30 65 1 59 62
M V30 66 1 62 63
M V30 67 1 62 64
M V30 68 1 62 65
M V30 69 2 59 66
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282310312D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 85 94 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.66618 -7.01805 0.0 0
M V30 2 C 9.16618 -6.15202 0.0 0
M V30 3 C 8.29961 -4.65436 0.0 0
M V30 4 C 8.29935 -5.652 0.0 0
M V30 5 C 9.16611 -4.15331 0.0 0
M V30 6 C 10.0362 -5.64897 0.0 0
M V30 7 C 10.0297 -4.64891 0.0 0
M V30 8 C 7.43758 -6.1485 0.0 0
M V30 9 C 6.57339 -5.64959 0.0 0
M V30 10 N 7.43196 -4.15346 0.0 0
M V30 11 C 6.57145 -4.65697 0.0 0
M V30 12 N 9.16418 -3.16069 0.0 0
M V30 13 C 10.0252 -2.66025 0.0 0
M V30 14 C 10.8942 -4.14647 0.0 0
M V30 15 C 10.8855 -3.15146 0.0 0
M V30 16 Ru 7.325 -2.25 0.0 0 CHG=2
M V30 17 C 4.18485 -3.22507 0.0 0
M V30 18 N 5.91515 -3.22459 0.0 0
M V30 19 C 5.05164 -2.72497 0.0 0
M V30 20 C 5.91515 -4.22553 0.0 0
M V30 21 C 4.18485 -4.23002 0.0 0
M V30 22 C 5.05382 -4.72503 0.0 0
M V30 23 C 3.32134 -2.72545 0.0 0
M V30 24 C 3.32134 -1.72451 0.0 0
M V30 25 C 5.05164 -1.72002 0.0 0
M V30 26 C 4.18267 -1.22501 0.0 0
M V30 27 C 4.17753 -0.228023 0.0 0
M V30 28 C 5.04076 0.277386 0.0 0
M V30 29 N 5.91832 -1.21259 0.0 0
M V30 30 C 5.90646 -0.213226 0.0 0
M V30 31 C 6.98485 1.27493 0.0 0
M V30 32 C 8.71515 1.27541 0.0 0
M V30 33 C 7.85164 1.77503 0.0 0
M V30 34 C 8.71515 0.274468 0.0 0
M V30 35 C 6.98485 0.26998 0.0 0
M V30 36 N 7.85382 -0.225033 0.0 0
M V30 37 C 9.57965 1.77379 0.0 0
M V30 38 C 10.4468 1.27345 0.0 0
M V30 39 C 9.5858 -0.227869 0.0 0
M V30 40 C 10.449 0.27754 0.0 0
M V30 41 C 11.3154 -0.21637 0.0 0
M V30 42 C 11.3217 -1.21688 0.0 0
M V30 43 N 9.5922 -1.23238 0.0 0
M V30 44 C 10.4639 -1.72165 0.0 0
M V30 45 N 9.16618 -7.88407 0.0 0
M V30 46 C 9.66618 -7.01805 0.0 0
M V30 47 C 8.20026 -7.62526 0.0 0
M V30 48 C 10.6662 -7.01805 0.0 0
M V30 49 C 11.1662 -7.88407 0.0 0
M V30 50 N 10.6662 -8.7501 0.0 0
M V30 51 C 11.1662 -9.61613 0.0 0
M V30 52 C 10.6662 -10.4822 0.0 0
M V30 53 C 7.70026 -8.49128 0.0 0
M V30 54 N 8.20026 -9.35731 0.0 0
M V30 55 N 9.70026 -10.2233 0.0 0
M V30 56 C 9.20026 -11.0894 0.0 0
M V30 57 C 7.70026 -10.2233 0.0 0
M V30 58 C 8.20026 -11.0894 0.0 0
M V30 59 Ni 9.425 -9.02857 0.0 0 CHG=2
M V30 60 H 2.38842 -5.98571 0.0 0
M V30 61 O 3.25444 -5.48571 0.0 0
M V30 62 H 4.12047 -5.98571 0.0 0
M V30 63 H 12.7456 -3.05714 0.0 0
M V30 64 O 13.6116 -2.55714 0.0 0
M V30 65 H 14.4776 -3.05714 0.0 0
M V30 66 O 12.0714 -6.27143 0.0 0
M V30 67 Cl 13.0714 -6.27143 0.0 0
M V30 68 O 13.0714 -5.27143 0.0 0
M V30 69 O 14.0714 -6.27143 0.0 0 CHG=-1
M V30 70 O 13.0714 -7.27143 0.0 0
M V30 71 O 4.35714 -8.34286 0.0 0
M V30 72 Cl 5.35714 -8.34286 0.0 0
M V30 73 O 5.35714 -7.34286 0.0 0
M V30 74 O 6.35714 -8.34286 0.0 0 CHG=-1
M V30 75 O 5.35714 -9.34286 0.0 0
M V30 76 O 1.4 0.560714 0.0 0
M V30 77 Cl 2.4 0.560714 0.0 0
M V30 78 O 2.4 1.56071 0.0 0
M V30 79 O 3.4 0.560714 0.0 0 CHG=-1
M V30 80 O 2.4 -0.439286 0.0 0
M V30 81 O 12.3643 0.417857 0.0 0
M V30 82 Cl 13.3643 0.417857 0.0 0
M V30 83 O 13.3643 1.41786 0.0 0
M V30 84 O 14.3643 0.417857 0.0 0 CHG=-1
M V30 85 O 13.3643 -0.582143 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 2
M V30 2 1 4 2
M V30 3 1 5 3
M V30 4 2 2 6
M V30 5 2 3 4
M V30 6 1 6 7
M V30 7 2 7 5
M V30 8 2 9 8
M V30 9 1 3 10
M V30 10 1 8 4
M V30 11 2 10 11
M V30 12 1 11 9
M V30 13 2 13 12
M V30 14 1 7 14
M V30 15 1 12 5
M V30 16 2 14 15
M V30 17 1 15 13
M V30 18 2 19 17
M V30 19 2 20 18
M V30 20 1 17 21
M V30 21 1 18 19
M V30 22 2 21 22
M V30 23 1 22 20
M V30 24 2 24 23
M V30 25 1 19 25
M V30 26 1 23 17
M V30 27 2 25 26
M V30 28 1 26 24
M V30 29 2 28 27
M V30 30 1 25 29
M V30 31 1 27 26
M V30 32 2 29 30
M V30 33 1 30 28
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 2 38 37
M V30 41 1 34 39
M V30 42 1 37 32
M V30 43 2 39 40
M V30 44 1 40 38
M V30 45 2 42 41
M V30 46 1 39 43
M V30 47 1 41 40
M V30 48 2 43 44
M V30 49 1 44 42
M V30 50 10 18 16
M V30 51 10 29 16
M V30 52 10 36 16
M V30 53 10 43 16
M V30 54 10 12 16
M V30 55 10 10 16
M V30 56 1 1 45
M V30 57 1 45 46
M V30 58 1 45 47
M V30 59 1 46 48
M V30 60 1 48 49
M V30 61 1 49 50
M V30 62 1 50 51
M V30 63 1 51 52
M V30 64 1 47 53
M V30 65 1 53 54
M V30 66 1 52 55
M V30 67 1 55 56
M V30 68 1 54 57
M V30 69 1 56 58
M V30 70 1 58 57
M V30 71 10 45 59
M V30 72 10 59 50
M V30 73 10 59 55
M V30 74 10 59 54
M V30 75 1 60 61
M V30 76 1 61 62
M V30 77 1 63 64
M V30 78 1 64 65
M V30 79 2 66 67
M V30 80 2 67 68
M V30 81 1 67 69
M V30 82 2 67 70
M V30 83 2 71 72
M V30 84 2 72 73
M V30 85 1 72 74
M V30 86 2 72 75
M V30 87 2 76 77
M V30 88 2 77 78
M V30 89 1 77 79
M V30 90 2 77 80
M V30 91 2 81 82
M V30 92 2 82 83
M V30 93 1 82 84
M V30 94 2 82 85
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282310412D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 51 58 0 0 0
M V30 BEGIN ATOM
M V30 1 C 2.68485 1.59993 0.0 0
M V30 2 C 4.41515 1.60041 0.0 0
M V30 3 C 3.55164 2.10003 0.0 0
M V30 4 C 4.41515 0.599468 0.0 0
M V30 5 C 2.68485 0.59498 0.0 0
M V30 6 N 3.55382 0.0999669 0.0 0
M V30 7 C 1.81882 0.0949799 0.0 0
M V30 8 C 0.955098 -1.40433 0.0 0
M V30 9 N 1.81921 -0.905735 0.0 0
M V30 10 C 0.0879209 -0.904437 0.0 0
M V30 11 C 0.948179 0.596869 0.0 0
M V30 12 C 0.0853377 0.0912454 0.0 0
M V30 13 C 0.955098 -2.40433 0.0 0
M V30 14 C 1.82167 -3.90199 0.0 0
M V30 15 N 1.82193 -2.90435 0.0 0
M V30 16 C 0.955167 -4.40304 0.0 0
M V30 17 C 0.0851268 -2.90738 0.0 0
M V30 18 C 0.0915894 -3.90744 0.0 0
M V30 19 C 5.53485 0.0999256 0.0 0
M V30 20 C 7.26515 0.100411 0.0 0
M V30 21 C 6.40164 0.600033 0.0 0
M V30 22 C 7.26515 -0.900532 0.0 0
M V30 23 N 5.53485 -0.90502 0.0 0
M V30 24 C 6.40382 -1.40003 0.0 0
M V30 25 C 6.40382 -2.40003 0.0 0
M V30 26 C 7.2704 -3.8977 0.0 0
M V30 27 C 7.27066 -2.90006 0.0 0
M V30 28 C 6.40389 -4.39875 0.0 0
M V30 29 N 5.53385 -2.90309 0.0 0
M V30 30 C 5.54031 -3.90314 0.0 0
M V30 31 C 4.67429 -4.40314 0.0 0
M V30 32 C 3.81056 -5.90245 0.0 0
M V30 33 C 4.67467 -5.40386 0.0 0
M V30 34 C 2.94338 -5.40256 0.0 0
M V30 35 N 3.80364 -3.90125 0.0 0
M V30 36 C 2.9408 -4.40688 0.0 0
M V30 37 Ni 3.67882 -1.80003 0.0 0 CHG=2
M V30 38 F 8.51699 0.15 0.0 0
M V30 39 P 9.38301 0.65 0.0 0 CHG=-1
M V30 40 F 10.249 0.15 0.0 0
M V30 41 F 9.38301 1.65 0.0 0
M V30 42 F 8.51699 1.15 0.0 0
M V30 43 F 9.38301 -0.35 0.0 0
M V30 44 F 10.249 1.15 0.0 0
M V30 45 F 8.75898 -3.1 0.0 0
M V30 46 P 9.625 -2.6 0.0 0 CHG=-1
M V30 47 F 10.491 -3.1 0.0 0
M V30 48 F 9.625 -1.6 0.0 0
M V30 49 F 8.75898 -2.1 0.0 0
M V30 50 F 9.625 -3.6 0.0 0
M V30 51 F 10.491 -2.1 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 5 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 1 8 13
M V30 15 2 15 13
M V30 16 2 16 14
M V30 17 1 13 17
M V30 18 1 14 15
M V30 19 2 17 18
M V30 20 1 18 16
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 1 24 25
M V30 28 2 27 25
M V30 29 2 28 26
M V30 30 1 25 29
M V30 31 1 26 27
M V30 32 2 29 30
M V30 33 1 30 28
M V30 34 1 30 31
M V30 35 2 33 31
M V30 36 2 34 32
M V30 37 1 31 35
M V30 38 1 32 33
M V30 39 2 35 36
M V30 40 1 36 34
M V30 41 10 6 37
M V30 42 10 37 9
M V30 43 10 15 37
M V30 44 10 37 35
M V30 45 10 29 37
M V30 46 10 37 23
M V30 47 1 38 39
M V30 48 1 39 40
M V30 49 1 39 41
M V30 50 1 39 42
M V30 51 1 39 43
M V30 52 1 39 44
M V30 53 1 45 46
M V30 54 1 46 47
M V30 55 1 46 48
M V30 56 1 46 49
M V30 57 1 46 50
M V30 58 1 46 51
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282310502D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 47 53 0 0 0
M V30 BEGIN ATOM
M V30 1 C 7.43485 -1.57507 0.0 0
M V30 2 C 9.16515 -1.57459 0.0 0
M V30 3 C 8.30164 -1.07497 0.0 0
M V30 4 C 9.16515 -2.57553 0.0 0
M V30 5 C 7.43485 -2.58002 0.0 0
M V30 6 N 8.30382 -3.07503 0.0 0
M V30 7 C 10.0312 -3.07553 0.0 0
M V30 8 C 11.7615 -3.07389 0.0 0
M V30 9 C 10.8976 -2.57484 0.0 0
M V30 10 C 11.7621 -4.07483 0.0 0
M V30 11 N 10.0318 -4.08048 0.0 0
M V30 12 C 10.9012 -4.57491 0.0 0
M V30 13 C 10.9012 -5.57491 0.0 0
M V30 14 C 11.7677 -7.07257 0.0 0
M V30 15 C 11.768 -6.07493 0.0 0
M V30 16 C 10.9012 -7.57362 0.0 0
M V30 17 N 10.0312 -6.07796 0.0 0
M V30 18 C 10.0376 -7.07802 0.0 0
M V30 19 C 9.17162 -7.57802 0.0 0
M V30 20 C 8.30789 -9.07732 0.0 0
M V30 21 C 9.172 -8.57873 0.0 0
M V30 22 C 7.44072 -8.57744 0.0 0
M V30 23 N 8.30097 -7.07613 0.0 0
M V30 24 C 7.43813 -7.58175 0.0 0
M V30 25 C 6.57211 -7.08175 0.0 0
M V30 26 C 4.84181 -7.0834 0.0 0
M V30 27 C 5.70566 -7.58244 0.0 0
M V30 28 C 4.84114 -6.08246 0.0 0
M V30 29 N 6.57143 -6.07681 0.0 0
M V30 30 C 5.70213 -5.58238 0.0 0
M V30 31 C 5.70213 -4.58238 0.0 0
M V30 32 C 4.83556 -3.08471 0.0 0
M V30 33 C 4.8353 -4.08235 0.0 0
M V30 34 C 5.70206 -2.58366 0.0 0
M V30 35 N 6.5721 -4.07932 0.0 0
M V30 36 C 6.56564 -3.07927 0.0 0
M V30 37 Ni 8.26313 -5.00432 0.0 0 CHG=2
M V30 38 Cl 13.95 -3.075 0.0 0
M V30 39 O 13.95 -2.075 0.0 0
M V30 40 O 12.95 -3.075 0.0 0
M V30 41 O 14.95 -3.075 0.0 0 CHG=-1
M V30 42 O 13.95 -4.075 0.0 0
M V30 43 Cl 14.0 -6.1 0.0 0
M V30 44 O 14.0 -5.1 0.0 0
M V30 45 O 13.0 -6.1 0.0 0
M V30 46 O 15.0 -6.1 0.0 0 CHG=-1
M V30 47 O 14.0 -7.1 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 4 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 18 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 30 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 10 35 37
M V30 41 10 37 6
M V30 42 10 11 37
M V30 43 10 37 17
M V30 44 10 23 37
M V30 45 10 37 29
M V30 46 2 38 39
M V30 47 2 38 40
M V30 48 1 38 41
M V30 49 2 38 42
M V30 50 2 43 44
M V30 51 2 43 45
M V30 52 1 43 46
M V30 53 2 43 47
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282310522D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 39 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 7.43485 -1.57507 0.0 0
M V30 2 C 9.16515 -1.57459 0.0 0
M V30 3 C 8.30164 -1.07497 0.0 0
M V30 4 C 9.16515 -2.57553 0.0 0
M V30 5 C 7.43485 -2.58002 0.0 0
M V30 6 N 8.30382 -3.07503 0.0 0
M V30 7 C 10.0312 -3.07553 0.0 0
M V30 8 C 11.7615 -3.07389 0.0 0
M V30 9 C 10.8976 -2.57484 0.0 0
M V30 10 C 11.7621 -4.07483 0.0 0
M V30 11 N 10.0318 -4.08048 0.0 0
M V30 12 C 10.9012 -4.57491 0.0 0
M V30 13 C 10.9012 -5.57491 0.0 0
M V30 14 C 11.7677 -7.07257 0.0 0
M V30 15 C 11.768 -6.07493 0.0 0
M V30 16 C 10.9012 -7.57362 0.0 0
M V30 17 N 10.0312 -6.07796 0.0 0
M V30 18 C 10.0376 -7.07802 0.0 0
M V30 19 C 9.17162 -7.57802 0.0 0
M V30 20 C 8.30789 -9.07732 0.0 0
M V30 21 C 9.172 -8.57873 0.0 0
M V30 22 C 7.44072 -8.57744 0.0 0
M V30 23 N 8.30097 -7.07613 0.0 0
M V30 24 C 7.43813 -7.58175 0.0 0
M V30 25 C 6.57211 -7.08175 0.0 0
M V30 26 C 4.84181 -7.0834 0.0 0
M V30 27 C 5.70566 -7.58244 0.0 0
M V30 28 C 4.84114 -6.08246 0.0 0
M V30 29 N 6.57143 -6.07681 0.0 0
M V30 30 C 5.70213 -5.58238 0.0 0
M V30 31 C 5.70213 -4.58238 0.0 0
M V30 32 C 4.83556 -3.08471 0.0 0
M V30 33 C 4.8353 -4.08235 0.0 0
M V30 34 C 5.70206 -2.58366 0.0 0
M V30 35 N 6.5721 -4.07932 0.0 0
M V30 36 C 6.56564 -3.07927 0.0 0
M V30 37 Ni 8.26313 -5.00432 0.0 0 CHG=2
M V30 38 Cl 13.275 -2.75 0.0 0 CHG=-1
M V30 39 Cl 13.425 -4.725 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 4 7
M V30 8 2 9 7
M V30 9 2 10 8
M V30 10 1 7 11
M V30 11 1 8 9
M V30 12 2 11 12
M V30 13 1 12 10
M V30 14 2 15 13
M V30 15 2 16 14
M V30 16 1 13 17
M V30 17 1 14 15
M V30 18 2 17 18
M V30 19 1 18 16
M V30 20 1 18 19
M V30 21 2 21 19
M V30 22 2 22 20
M V30 23 1 19 23
M V30 24 1 20 21
M V30 25 2 23 24
M V30 26 1 24 22
M V30 27 2 27 25
M V30 28 2 28 26
M V30 29 1 25 29
M V30 30 1 26 27
M V30 31 2 29 30
M V30 32 1 30 28
M V30 33 1 30 31
M V30 34 2 33 31
M V30 35 2 34 32
M V30 36 1 31 35
M V30 37 1 32 33
M V30 38 2 35 36
M V30 39 1 36 34
M V30 40 10 35 37
M V30 41 10 37 6
M V30 42 10 11 37
M V30 43 10 37 17
M V30 44 10 23 37
M V30 45 10 37 29
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282311132D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 100 115 0 0 0
M V30 BEGIN ATOM
M V30 1 Cl 3.1875 -0.04375 0.0 0
M V30 2 O 3.1875 0.95625 0.0 0
M V30 3 O 2.1875 -0.04375 0.0 0
M V30 4 O 4.1875 -0.04375 0.0 0 CHG=-1
M V30 5 O 3.1875 -1.04375 0.0 0
M V30 6 Cl 2.5 -7.73125 0.0 0
M V30 7 O 2.5 -6.73125 0.0 0
M V30 8 O 1.5 -7.73125 0.0 0
M V30 9 O 3.5 -7.73125 0.0 0 CHG=-1
M V30 10 O 2.5 -8.73125 0.0 0
M V30 11 Cl 21.375 -5.79375 0.0 0
M V30 12 O 21.375 -4.79375 0.0 0
M V30 13 O 20.375 -5.79375 0.0 0
M V30 14 O 22.375 -5.79375 0.0 0 CHG=-1
M V30 15 O 21.375 -6.79375 0.0 0
M V30 16 Cl 20.2812 2.25625 0.0 0
M V30 17 O 20.2812 3.25625 0.0 0
M V30 18 O 19.2812 2.25625 0.0 0
M V30 19 O 21.2812 2.25625 0.0 0 CHG=-1
M V30 20 O 20.2812 1.25625 0.0 0
M V30 21 C 4.45535 -2.07171 0.0 0
M V30 22 C 5.9536 -1.20614 0.0 0
M V30 23 C 4.95596 -1.20521 0.0 0
M V30 24 C 6.45407 -2.07298 0.0 0
M V30 25 C 4.95783 -2.94202 0.0 0
M V30 26 N 5.95789 -2.93623 0.0 0
M V30 27 C 6.45308 -0.34229 0.0 0
M V30 28 C 7.45426 -0.342 0.0 0
M V30 29 C 7.45924 -2.0727 0.0 0
M V30 30 C 7.95412 -1.20338 0.0 0
M V30 31 C 8.95133 -1.19796 0.0 0
M V30 32 C 9.4571 -2.06124 0.0 0
M V30 33 N 7.96704 -2.93943 0.0 0
M V30 34 C 8.96663 -2.92727 0.0 0
M V30 35 C 13.1229 -1.36988 0.0 0
M V30 36 N 14.6216 -2.23461 0.0 0
M V30 37 C 14.1236 -1.37017 0.0 0
M V30 38 C 14.1212 -3.10145 0.0 0
M V30 39 C 12.6205 -2.24019 0.0 0
M V30 40 C 13.1255 -3.10337 0.0 0
M V30 41 C 12.6249 -0.50544 0.0 0
M V30 42 C 13.1253 0.3614 0.0 0
M V30 43 C 14.626 -0.49986 0.0 0
M V30 44 C 14.121 0.36332 0.0 0
M V30 45 C 14.6151 1.2293 0.0 0
M V30 46 C 15.6153 1.23538 0.0 0
M V30 47 N 15.6304 -0.49375 0.0 0
M V30 48 C 16.1198 0.37765 0.0 0
M V30 49 C 3.63582 -3.79209 0.0 0
M V30 50 N 5.13455 -4.65683 0.0 0
M V30 51 C 4.63653 -3.79238 0.0 0
M V30 52 C 4.63408 -5.52367 0.0 0
M V30 53 C 3.13335 -4.6624 0.0 0
M V30 54 C 3.63839 -5.52558 0.0 0
M V30 55 C 5.06673 -6.26368 0.0 0
M V30 56 N 6.06745 -6.26397 0.0 0
M V30 57 C 4.56426 -7.13399 0.0 0
M V30 58 C 5.06931 -7.99717 0.0 0
M V30 59 N 8.13301 -6.30155 0.0 0
M V30 60 C 9.63174 -7.16628 0.0 0
M V30 61 C 9.13373 -6.30184 0.0 0
M V30 62 C 9.13127 -8.03313 0.0 0
M V30 63 C 7.63054 -7.17186 0.0 0
M V30 64 C 8.13558 -8.03504 0.0 0
M V30 65 C 14.2906 -4.78818 0.0 0
M V30 66 N 15.7889 -3.92261 0.0 0
M V30 67 C 14.7912 -3.92168 0.0 0
M V30 68 C 16.2893 -4.78945 0.0 0
M V30 69 C 14.7931 -5.65849 0.0 0
M V30 70 C 15.7931 -5.6527 0.0 0
M V30 71 C 6.56546 -7.12841 0.0 0
M V30 72 C 6.06499 -7.99525 0.0 0
M V30 73 Ni 16.7125 -2.25 0.0 0 CHG=2
M V30 74 Ru 6.98125 -4.5875 0.0 0 CHG=2
M V30 75 C 9.63373 -5.43581 0.0 0
M V30 76 C 9.63208 -3.70551 0.0 0
M V30 77 N 9.13304 -4.56936 0.0 0
M V30 78 C 10.633 -3.70484 0.0 0
M V30 79 C 10.6387 -5.43514 0.0 0
M V30 80 C 11.1331 -4.56584 0.0 0
M V30 81 C 17.2893 -4.78945 0.0 0
M V30 82 C 18.787 -3.92287 0.0 0
M V30 83 N 17.7893 -3.92261 0.0 0
M V30 84 C 19.288 -4.78938 0.0 0
M V30 85 C 17.7924 -5.65942 0.0 0
M V30 86 C 18.7924 -5.65296 0.0 0
M V30 87 C 17.7507 1.25927 0.0 0
M V30 88 C 19.2494 0.394543 0.0 0
M V30 89 C 18.7514 1.25899 0.0 0
M V30 90 C 18.749 -0.472299 0.0 0
M V30 91 C 17.2482 0.388965 0.0 0
M V30 92 N 17.7533 -0.474214 0.0 0
M V30 93 C 19.249 -1.33832 0.0 0
M V30 94 C 20.7483 -2.20205 0.0 0
M V30 95 C 20.2497 -1.33794 0.0 0
M V30 96 C 20.2484 -3.06923 0.0 0
M V30 97 N 18.7471 -2.20897 0.0 0
M V30 98 C 19.2527 -3.07181 0.0 0
M V30 99 C 10.3212 -0.903999 0.0 0
M V30 100 C 11.3205 -2.2181 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 2 1 3
M V30 3 1 1 4
M V30 4 2 1 5
M V30 5 2 6 7
M V30 6 2 6 8
M V30 7 1 6 9
M V30 8 2 6 10
M V30 9 2 11 12
M V30 10 2 11 13
M V30 11 1 11 14
M V30 12 2 11 15
M V30 13 2 16 17
M V30 14 2 16 18
M V30 15 1 16 19
M V30 16 2 16 20
M V30 17 2 23 21
M V30 18 2 24 22
M V30 19 1 21 25
M V30 20 1 22 23
M V30 21 2 25 26
M V30 22 1 26 24
M V30 23 2 28 27
M V30 24 1 24 29
M V30 25 1 27 22
M V30 26 2 29 30
M V30 27 1 30 28
M V30 28 2 32 31
M V30 29 1 29 33
M V30 30 1 31 30
M V30 31 2 33 34
M V30 32 1 34 32
M V30 33 2 37 35
M V30 34 2 38 36
M V30 35 1 35 39
M V30 36 1 36 37
M V30 37 2 39 40
M V30 38 1 40 38
M V30 39 2 42 41
M V30 40 1 37 43
M V30 41 1 41 35
M V30 42 2 43 44
M V30 43 1 44 42
M V30 44 2 46 45
M V30 45 1 43 47
M V30 46 1 45 44
M V30 47 2 47 48
M V30 48 1 48 46
M V30 49 2 51 49
M V30 50 2 52 50
M V30 51 1 49 53
M V30 52 1 50 51
M V30 53 2 53 54
M V30 54 1 54 52
M V30 55 2 56 55
M V30 56 1 55 57
M V30 57 2 57 58
M V30 58 2 61 59
M V30 59 2 62 60
M V30 60 1 59 63
M V30 61 1 60 61
M V30 62 2 63 64
M V30 63 1 64 62
M V30 64 2 67 65
M V30 65 2 68 66
M V30 66 1 65 69
M V30 67 1 66 67
M V30 68 2 69 70
M V30 69 1 70 68
M V30 70 1 55 52
M V30 71 1 71 56
M V30 72 2 72 71
M V30 73 1 58 72
M V30 74 10 26 74
M V30 75 10 33 74
M V30 76 10 59 74
M V30 77 10 56 74
M V30 78 10 50 74
M V30 79 10 36 73
M V30 80 10 66 73
M V30 81 10 47 73
M V30 82 1 61 75
M V30 83 2 77 75
M V30 84 2 78 76
M V30 85 1 75 79
M V30 86 1 76 77
M V30 87 2 79 80
M V30 88 1 80 78
M V30 89 10 74 77
M V30 90 1 68 81
M V30 91 2 83 81
M V30 92 2 84 82
M V30 93 1 81 85
M V30 94 1 82 83
M V30 95 2 85 86
M V30 96 1 86 84
M V30 97 2 89 87
M V30 98 2 90 88
M V30 99 1 87 91
M V30 100 1 88 89
M V30 101 2 91 92
M V30 102 1 92 90
M V30 103 1 90 93
M V30 104 2 95 93
M V30 105 2 96 94
M V30 106 1 93 97
M V30 107 1 94 95
M V30 108 2 97 98
M V30 109 1 98 96
M V30 110 10 73 97
M V30 111 10 92 73
M V30 112 10 83 73
M V30 113 1 31 99
M V30 114 1 39 100
M V30 115 1 99 100
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282311222D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 48 54 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.68485 -5.42507 0.0 0
M V30 2 N 7.41515 -5.42459 0.0 0
M V30 3 C 6.55164 -4.92497 0.0 0
M V30 4 C 7.41515 -6.42553 0.0 0
M V30 5 C 5.68485 -6.43002 0.0 0
M V30 6 C 6.55382 -6.92503 0.0 0
M V30 7 C 6.55895 -7.92202 0.0 0
M V30 8 C 5.69572 -8.42743 0.0 0
M V30 9 C 4.81817 -6.93745 0.0 0
M V30 10 C 4.83003 -7.93682 0.0 0
M V30 11 N 10.3848 -5.45007 0.0 0
M V30 12 C 12.1152 -5.44959 0.0 0
M V30 13 C 11.2516 -4.94997 0.0 0
M V30 14 C 12.1152 -6.45053 0.0 0
M V30 15 C 10.3848 -6.45502 0.0 0
M V30 16 C 11.2538 -6.95003 0.0 0
M V30 17 C 12.9754 -6.94574 0.0 0
M V30 18 C 12.9776 -7.94165 0.0 0
M V30 19 C 11.256 -7.94993 0.0 0
M V30 20 C 12.1217 -8.44054 0.0 0
M V30 21 N 6.55225 -3.92497 0.0 0
M V30 22 C 5.74326 -3.33717 0.0 0
M V30 23 C 6.05225 -2.38609 0.0 0
M V30 24 N 7.05224 -2.38609 0.0 0
M V30 25 C 7.36124 -3.33717 0.0 0
M V30 26 N 11.2522 -3.94997 0.0 0
M V30 27 C 10.4433 -3.36217 0.0 0
M V30 28 N 10.7523 -2.41109 0.0 0
M V30 29 C 11.7522 -2.41109 0.0 0
M V30 30 C 12.0612 -3.36217 0.0 0
M V30 31 C 7.95935 -1.62898 0.0 0
M V30 32 C 8.84145 -2.26109 0.0 0
M V30 33 C 9.67356 -1.60398 0.0 0
M V30 34 Ni 8.875 -4.25 0.0 0 CHG=2
M V30 35 F 13.342 -4.825 0.0 0
M V30 36 P 14.208 -4.325 0.0 0 CHG=-1
M V30 37 F 15.074 -4.825 0.0 0
M V30 38 F 14.208 -3.325 0.0 0
M V30 39 F 15.074 -3.825 0.0 0
M V30 40 F 13.342 -3.825 0.0 0
M V30 41 F 14.208 -5.325 0.0 0
M V30 42 F 2.85897 -4.7 0.0 0
M V30 43 P 3.725 -4.2 0.0 0 CHG=-1
M V30 44 F 4.59103 -4.7 0.0 0
M V30 45 F 3.725 -3.2 0.0 0
M V30 46 F 4.59103 -3.7 0.0 0
M V30 47 F 2.85897 -3.7 0.0 0
M V30 48 F 3.725 -5.2 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 8 7
M V30 8 1 5 9
M V30 9 1 7 6
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 13 11
M V30 13 2 14 12
M V30 14 1 11 15
M V30 15 1 12 13
M V30 16 2 15 16
M V30 17 1 16 14
M V30 18 2 18 17
M V30 19 1 16 19
M V30 20 1 17 14
M V30 21 2 19 20
M V30 22 1 20 18
M V30 23 1 3 21
M V30 24 1 21 22
M V30 25 2 22 23
M V30 26 1 23 24
M V30 27 1 24 25
M V30 28 1 25 21
M V30 29 1 13 26
M V30 30 1 26 27
M V30 31 1 27 28
M V30 32 1 28 29
M V30 33 2 29 30
M V30 34 1 30 26
M V30 35 1 24 31
M V30 36 1 31 32
M V30 37 1 32 33
M V30 38 1 33 28
M V30 39 10 25 34
M V30 40 10 34 27
M V30 41 10 2 34
M V30 42 10 11 34
M V30 43 1 35 36
M V30 44 1 36 37
M V30 45 1 36 38
M V30 46 1 36 39
M V30 47 1 36 40
M V30 48 1 36 41
M V30 49 1 42 43
M V30 50 1 43 44
M V30 51 1 43 45
M V30 52 1 43 46
M V30 53 1 43 47
M V30 54 1 43 48
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282311332D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 21 25 0 0 0
M V30 BEGIN ATOM
M V30 1 C 7.45985 -2.07507 0.0 0
M V30 2 C 9.19015 -2.07459 0.0 0
M V30 3 C 8.32664 -1.57497 0.0 0
M V30 4 C 9.19015 -3.07553 0.0 0
M V30 5 C 7.45985 -3.08002 0.0 0
M V30 6 N 8.32882 -3.57503 0.0 0
M V30 7 N 6.60033 -3.99453 0.0 0
M V30 8 C 7.00704 -4.90807 0.0 0
M V30 9 N 6.2639 -5.57723 0.0 0
M V30 10 C 5.39789 -5.07724 0.0 0
M V30 11 C 5.60583 -4.09908 0.0 0
M V30 12 N 10.2247 -3.94453 0.0 0
M V30 13 C 11.2192 -4.04908 0.0 0
M V30 14 C 11.4271 -5.02724 0.0 0
M V30 15 N 10.5611 -5.52723 0.0 0
M V30 16 C 9.81796 -4.85807 0.0 0
M V30 17 O 8.32725 -0.574967 0.0 0 CHG=-1
M V30 18 Cl 8.325 -6.475 0.0 0 CHG=-1
M V30 19 Ni 8.325 -4.95 0.0 0 CHG=2
M V30 20 C 6.36844 -6.57175 0.0 0
M V30 21 C 10.4566 -6.52175 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 1 7 8
M V30 8 1 8 9
M V30 9 1 9 10
M V30 10 2 10 11
M V30 11 1 11 7
M V30 12 1 12 13
M V30 13 2 13 14
M V30 14 1 14 15
M V30 15 1 15 16
M V30 16 1 16 12
M V30 17 1 3 17
M V30 18 1 5 7
M V30 19 1 4 12
M V30 20 10 8 19
M V30 21 10 6 19
M V30 22 10 16 19
M V30 23 8 18 19
M V30 24 1 9 20
M V30 25 1 15 21
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-11282313532D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 35 37 0 0 0
M V30 BEGIN ATOM
M V30 1 Ni 5.86535 -5.03598 0.0 0 CHG=2
M V30 2 C 3.08537 -3.22072 0.0 0
M V30 3 C 4.78247 -3.1653 0.0 0
M V30 4 C 3.83905 -2.73191 0.0 0
M V30 5 N 4.8418 -4.12112 0.0 0
M V30 6 C 3.12428 -4.06455 0.0 0
M V30 7 C 3.9897 -4.49954 0.0 0
M V30 8 N 7.3905 -5.18391 0.0 0
M V30 9 C 9.27544 -4.97519 0.0 0
M V30 10 C 8.26241 -4.54569 0.0 0
M V30 11 C 9.41709 -5.86489 0.0 0
M V30 12 C 7.64928 -6.06403 0.0 0
M V30 13 C 8.68524 -6.41954 0.0 0
M V30 14 C 4.00094 -5.25623 0.0 0
M V30 15 C 6.98465 -6.58123 0.0 0
M V30 16 S 6.05164 -6.19474 0.0 0
M V30 17 S 4.85013 -5.66207 0.0 0
M V30 18 C 4.81816 -6.4382 0.0 0
M V30 19 C 5.43609 -6.71338 0.0 0
M V30 20 N 5.83998 -3.99348 0.0 0
M V30 21 N 6.66739 -4.36381 0.0 0
M V30 22 C 5.81461 -2.95097 0.0 0
M V30 23 C 7.46942 -3.69163 0.0 0
M V30 24 C 5.78924 -1.90847 0.0 0
M V30 25 C 8.27146 -3.01946 0.0 0
M V30 26 O 10.175 -2.9 0.0 0
M V30 27 Cl 11.175 -2.9 0.0 0
M V30 28 O 11.175 -1.9 0.0 0
M V30 29 O 12.175 -2.9 0.0 0 CHG=-1
M V30 30 O 11.175 -3.9 0.0 0
M V30 31 O 10.7 -6.2 0.0 0
M V30 32 Cl 11.7 -6.2 0.0 0
M V30 33 O 11.7 -5.2 0.0 0
M V30 34 O 12.7 -6.2 0.0 0 CHG=-1
M V30 35 O 11.7 -7.2 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 4 2
M V30 2 2 5 3
M V30 3 1 2 6
M V30 4 1 3 4
M V30 5 2 6 7
M V30 6 1 7 5
M V30 7 2 10 8
M V30 8 2 11 9
M V30 9 1 8 12
M V30 10 1 9 10
M V30 11 2 12 13
M V30 12 1 13 11
M V30 13 1 7 14
M V30 14 1 12 15
M V30 15 1 15 16
M V30 16 1 14 17
M V30 17 1 17 18
M V30 18 1 18 19
M V30 19 1 19 16
M V30 20 3 20 22
M V30 21 3 21 23
M V30 22 1 22 24
M V30 23 1 23 25
M V30 24 10 20 1
M V30 25 10 21 1
M V30 26 10 8 1
M V30 27 10 16 1
M V30 28 10 17 1
M V30 29 10 5 1
M V30 30 2 26 27
M V30 31 2 27 28
M V30 32 1 27 29
M V30 33 2 27 30
M V30 34 2 31 32
M V30 35 2 32 33
M V30 36 1 32 34
M V30 37 2 32 35
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-01102413302D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 45 49 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.83342 -4.49642 0.0 0
M V30 2 C 6.60657 -4.73826 0.0 0
M V30 3 C 5.76265 -4.10246 0.0 0
M V30 4 N 6.44405 -5.72998 0.0 0
M V30 5 C 4.72131 -5.45597 0.0 0
M V30 6 C 5.51755 -6.05063 0.0 0
M V30 7 C 9.1289 -5.73727 0.0 0
M V30 8 C 10.6061 -6.7417 0.0 0
M V30 9 C 10.1782 -5.83185 0.0 0
M V30 10 C 10.0387 -7.5377 0.0 0
M V30 11 N 8.56899 -6.57497 0.0 0
M V30 12 C 9.02305 -7.43435 0.0 0
M V30 13 N 9.17254 -3.04273 0.0 0
M V30 14 C 10.7817 -2.47886 0.0 0
M V30 15 C 9.81843 -2.29685 0.0 0
M V30 16 C 11.1048 -3.40354 0.0 0
M V30 17 C 9.49654 -3.97106 0.0 0
M V30 18 C 10.4626 -4.15251 0.0 0
M V30 19 C 6.62135 -1.62089 0.0 0
M V30 20 C 8.33003 -1.5909 0.0 0
M V30 21 C 7.46722 -1.11387 0.0 0
M V30 22 N 8.34988 -2.57658 0.0 0
M V30 23 C 6.64142 -2.61028 0.0 0
M V30 24 C 7.50705 -3.08878 0.0 0
M V30 25 C 5.80943 -3.0862 0.0 0
M V30 26 C 10.7916 -5.04863 0.0 0
M V30 27 C 5.44319 -6.87948 0.0 0
M V30 28 S 6.28238 -7.32265 0.0 0
M V30 29 C 8.49287 -8.10363 0.0 0
M V30 30 S 7.55836 -7.83346 0.0 0
M V30 31 C 6.28511 -8.17427 0.0 0
M V30 32 C 6.95119 -8.44602 0.0 0
M V30 33 O 7.32721 -4.57481 0.0 0
M V30 34 O 8.65286 -5.1065 0.0 0
M V30 35 Ni 7.30164 -6.64314 0.0 0 CHG=2
M V30 36 Cl 13.25 -4.425 0.0 0
M V30 37 O 13.25 -3.425 0.0 0
M V30 38 O 14.25 -4.425 0.0 0 CHG=-1
M V30 39 O 12.25 -4.425 0.0 0
M V30 40 O 13.25 -5.425 0.0 0
M V30 41 Cl 12.575 -7.3 0.0 0
M V30 42 O 12.575 -6.3 0.0 0
M V30 43 O 13.575 -7.3 0.0 0 CHG=-1
M V30 44 O 11.575 -7.3 0.0 0
M V30 45 O 12.575 -8.3 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 2 4 2
M V30 3 1 1 5
M V30 4 1 2 3
M V30 5 2 5 6
M V30 6 1 6 4
M V30 7 2 9 7
M V30 8 2 10 8
M V30 9 1 7 11
M V30 10 1 8 9
M V30 11 2 11 12
M V30 12 1 12 10
M V30 13 2 15 13
M V30 14 2 16 14
M V30 15 1 13 17
M V30 16 1 14 15
M V30 17 2 17 18
M V30 18 1 18 16
M V30 19 2 21 19
M V30 20 2 22 20
M V30 21 1 19 23
M V30 22 1 20 21
M V30 23 2 23 24
M V30 24 1 24 22
M V30 25 1 3 25
M V30 26 1 25 23
M V30 27 1 18 26
M V30 28 1 26 9
M V30 29 1 6 27
M V30 30 1 27 28
M V30 31 1 12 29
M V30 32 1 29 30
M V30 33 1 28 31
M V30 34 1 31 32
M V30 35 1 30 32
M V30 36 10 33 35
M V30 37 10 34 35
M V30 38 10 4 35
M V30 39 10 11 35
M V30 40 10 30 35
M V30 41 10 28 35
M V30 42 2 36 37
M V30 43 1 36 38
M V30 44 2 36 39
M V30 45 2 36 40
M V30 46 2 41 42
M V30 47 1 41 43
M V30 48 2 41 44
M V30 49 2 41 45
M V30 END BOND
M V30 END CTAB
M END
