Property:Molfile
From ChemWiki
1
-INDIGO-12132211452D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 7 7 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.20985 -3.70007 0.0 0
M V30 2 C 9.94015 -3.69959 0.0 0
M V30 3 C 9.07664 -3.19997 0.0 0
M V30 4 C 9.94015 -4.70053 0.0 0
M V30 5 C 8.20985 -4.70502 0.0 0
M V30 6 C 9.07882 -5.20003 0.0 0
M V30 7 O 9.07725 -2.19997 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 3 7
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-12132211472D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 5 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.82192 -5.03421 0.0 0
M V30 2 O 7.81584 -5.20252 0.0 0
M V30 3 C 6.18635 -5.79969 0.0 0
M V30 4 F 5.41792 -5.15324 0.0 0
M V30 5 F 5.55273 -6.56115 0.0 0
M V30 6 F 6.96078 -6.43583 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 3 5
M V30 5 1 3 6
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-11272310022D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 29 32 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.95985 -5.52507 0.0 0
M V30 2 C 6.69015 -5.52459 0.0 0
M V30 3 C 5.82664 -5.02497 0.0 0
M V30 4 C 6.69015 -6.52553 0.0 0
M V30 5 C 4.95985 -6.53002 0.0 0
M V30 6 C 5.82882 -7.02503 0.0 0
M V30 7 C 7.55465 -5.02621 0.0 0
M V30 8 C 8.42183 -5.52655 0.0 0
M V30 9 O 7.5608 -7.02787 0.0 0
M V30 10 C 8.42403 -6.52246 0.0 0
M V30 11 C 9.28088 -5.02878 0.0 0
M V30 12 C 10.1448 -5.52469 0.0 0
M V30 13 C 9.29141 -7.02035 0.0 0
M V30 14 C 10.1492 -6.51559 0.0 0
M V30 15 C 7.55482 -4.02621 0.0 0
M V30 16 Br 5.83268 -8.02503 0.0 0
M V30 17 O 4.09528 -7.03253 0.0 0
M V30 18 Br 4.0939 -5.02495 0.0 0
M V30 19 Br 9.29681 -8.02034 0.0 0
M V30 20 O 11.0184 -7.01007 0.0 0
M V30 21 Br 11.0091 -5.02169 0.0 0
M V30 22 C 6.68825 -2.52855 0.0 0
M V30 23 C 6.68799 -3.52619 0.0 0
M V30 24 C 7.55475 -2.0275 0.0 0
M V30 25 C 8.4248 -3.52316 0.0 0
M V30 26 C 8.41833 -2.5231 0.0 0
M V30 27 C 9.2676 -4.02007 0.0 0
M V30 28 O 9.8836 -4.79507 0.0 0
M V30 29 O 10.1926 -3.54507 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 4 9
M V30 9 1 7 2
M V30 10 1 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 2 10 13
M V30 14 1 11 8
M V30 15 1 13 14
M V30 16 1 14 12
M V30 17 1 7 15
M V30 18 1 6 16
M V30 19 1 5 17
M V30 20 1 1 18
M V30 21 1 13 19
M V30 22 2 14 20
M V30 23 1 12 21
M V30 24 2 23 15
M V30 25 2 24 22
M V30 26 1 15 25
M V30 27 1 22 23
M V30 28 2 25 26
M V30 29 1 26 24
M V30 30 1 25 27
M V30 31 2 27 28
M V30 32 1 27 29
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01102413272D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 49 56 0 0 0
M V30 BEGIN ATOM
M V30 1 N 10.2493 -3.59052 0.0 0
M V30 2 C 8.75055 -2.72579 0.0 0
M V30 3 C 9.24857 -3.59024 0.0 0
M V30 4 C 9.25102 -1.85895 0.0 0
M V30 5 C 10.7518 -2.72022 0.0 0
M V30 6 C 10.2467 -1.85704 0.0 0
M V30 7 C 8.74804 -4.45596 0.0 0
M V30 8 C 8.74863 -6.18626 0.0 0
M V30 9 N 9.2482 -5.32271 0.0 0
M V30 10 C 7.74768 -6.18632 0.0 0
M V30 11 C 7.74309 -4.45602 0.0 0
M V30 12 C 7.24813 -5.32502 0.0 0
M V30 13 C 9.24828 -7.05248 0.0 0
M V30 14 C 10.7472 -7.91682 0.0 0
M V30 15 N 10.249 -7.05251 0.0 0
M V30 16 C 10.247 -8.78379 0.0 0
M V30 17 C 8.74604 -7.92293 0.0 0
M V30 18 C 9.25131 -8.78597 0.0 0
M V30 19 C 11.7472 -7.91702 0.0 0
M V30 20 C 13.2451 -7.05074 0.0 0
M V30 21 N 12.2474 -7.05028 0.0 0
M V30 22 C 13.7459 -7.91735 0.0 0
M V30 23 C 12.2501 -8.78709 0.0 0
M V30 24 C 13.2502 -8.78083 0.0 0
M V30 25 C 13.7451 -6.18471 0.0 0
M V30 26 C 13.7434 -4.45441 0.0 0
M V30 27 N 13.2444 -5.31826 0.0 0
M V30 28 C 14.7444 -4.45374 0.0 0
M V30 29 C 14.75 -6.18403 0.0 0
M V30 30 C 15.2444 -5.31473 0.0 0
M V30 31 C 13.2432 -3.58849 0.0 0
M V30 32 C 11.7437 -2.72508 0.0 0
M V30 33 N 12.2425 -3.58908 0.0 0
M V30 34 C 12.2434 -1.8578 0.0 0
M V30 35 C 13.7449 -2.71774 0.0 0
M V30 36 C 13.2391 -1.85501 0.0 0
M V30 37 R# 16.2444 -5.31473 0.0 0 RGROUPS=(1 1)
M V30 38 R# 6.24813 -5.32502 0.0 0 RGROUPS=(1 1)
M V30 39 Ni 11.2493 -5.33155 0.0 0 CHG=2
M V30 40 F 15.009 -3.2 0.0 0
M V30 41 B 15.875 -2.7 0.0 0 CHG=-1
M V30 42 F 15.375 -1.83397 0.0 0
M V30 43 F 16.741 -2.2 0.0 0
M V30 44 F 16.375 -3.56603 0.0 0
M V30 45 F 5.63397 -3.275 0.0 0
M V30 46 B 6.5 -2.775 0.0 0 CHG=-1
M V30 47 F 6.0 -1.90897 0.0 0
M V30 48 F 7.36603 -2.275 0.0 0
M V30 49 F 7.0 -3.64103 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 3 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 20 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 26 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 1 30 37
M V30 42 1 12 38
M V30 43 10 1 39
M V30 44 10 39 9
M V30 45 10 15 39
M V30 46 10 39 21
M V30 47 10 27 39
M V30 48 10 39 33
M V30 49 1 40 41
M V30 50 1 41 42
M V30 51 1 41 43
M V30 52 1 41 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 END BOND
M V30 END CTAB
M END
-INDIGO-11282310442D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 31 32 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.20985 -5.97507 0.0 0
M V30 2 C 6.94015 -5.97459 0.0 0
M V30 3 C 6.07664 -5.47497 0.0 0
M V30 4 C 6.94015 -6.97553 0.0 0
M V30 5 C 5.20985 -6.98002 0.0 0
M V30 6 C 6.07882 -7.47503 0.0 0
M V30 7 C 7.80465 -5.47621 0.0 0
M V30 8 C 8.67183 -5.97655 0.0 0
M V30 9 O 7.8108 -7.47787 0.0 0
M V30 10 C 8.67403 -6.97246 0.0 0
M V30 11 C 9.53088 -5.47878 0.0 0
M V30 12 C 10.3948 -5.97469 0.0 0
M V30 13 C 9.54141 -7.47035 0.0 0
M V30 14 C 10.3992 -6.96559 0.0 0
M V30 15 C 7.80482 -4.47621 0.0 0
M V30 16 C 6.93825 -2.97855 0.0 0
M V30 17 C 6.93799 -3.97619 0.0 0
M V30 18 C 7.80475 -2.4775 0.0 0
M V30 19 C 8.6748 -3.97316 0.0 0
M V30 20 C 8.66833 -2.9731 0.0 0
M V30 21 Br 11.2591 -5.47169 0.0 0
M V30 22 O 11.2684 -7.46007 0.0 0
M V30 23 Br 9.54681 -8.47034 0.0 0
M V30 24 Br 6.08268 -8.47503 0.0 0
M V30 25 O 4.34528 -7.48253 0.0 0 CHG=-1
M V30 26 Br 4.3439 -5.47495 0.0 0
M V30 27 C 9.5426 -4.47007 0.0 0
M V30 28 O 9.5426 -3.47007 0.0 0 CHG=-1
M V30 29 O 10.4586 -4.09507 0.0 0
M V30 30 Na 10.375 -2.925 0.0 0 CHG=1
M V30 31 Na 3.975 -8.2 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 2 8 7
M V30 8 1 4 9
M V30 9 1 7 2
M V30 10 1 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 2 10 13
M V30 14 1 11 8
M V30 15 1 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 12 21
M V30 25 2 14 22
M V30 26 1 13 23
M V30 27 1 6 24
M V30 28 1 5 25
M V30 29 1 1 26
M V30 30 1 19 27
M V30 31 1 27 28
M V30 32 2 27 29
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01102416002D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 57 63 0 0 0
M V30 BEGIN ATOM
M V30 1 C 20.2257 -2.15948 0.0 0
M V30 2 C 21.7244 -3.02421 0.0 0
M V30 3 C 21.2264 -2.15976 0.0 0
M V30 4 N 21.224 -3.89105 0.0 0
M V30 5 C 19.7232 -3.02978 0.0 0
M V30 6 C 20.2283 -3.89296 0.0 0
M V30 7 C 22.7244 -3.02467 0.0 0
M V30 8 C 24.2225 -2.15879 0.0 0
M V30 9 C 23.2249 -2.15807 0.0 0
M V30 10 C 24.7232 -3.02553 0.0 0
M V30 11 N 23.2271 -3.89488 0.0 0
M V30 12 C 24.2272 -3.88888 0.0 0
M V30 13 C 24.7307 -4.75287 0.0 0
M V30 14 C 26.2335 -5.6105 0.0 0
M V30 15 C 25.7314 -4.74842 0.0 0
M V30 16 C 25.7371 -6.4797 0.0 0
M V30 17 N 24.2323 -5.62555 0.0 0
M V30 18 C 24.7414 -6.48632 0.0 0
M V30 19 C 24.2489 -7.35661 0.0 0
M V30 20 C 24.2654 -9.08684 0.0 0
M V30 21 C 24.757 -8.21873 0.0 0
M V30 22 C 23.2645 -9.09611 0.0 0
M V30 23 N 23.244 -7.36592 0.0 0
M V30 24 C 22.7571 -8.23944 0.0 0
M V30 25 C 21.7571 -8.25256 0.0 0
M V30 26 C 20.271 -9.13871 0.0 0
M V30 27 C 21.2685 -9.12588 0.0 0
M V30 28 C 19.7586 -8.27885 0.0 0
M V30 29 N 21.2427 -7.38926 0.0 0
M V30 30 C 20.2428 -7.40884 0.0 0
M V30 31 C 19.7276 -6.55178 0.0 0
M V30 32 C 18.2133 -5.71464 0.0 0
M V30 33 C 18.7271 -6.56982 0.0 0
M V30 34 C 18.6978 -4.83878 0.0 0
M V30 35 N 20.2141 -5.67241 0.0 0
M V30 36 C 19.6933 -4.81862 0.0 0
M V30 37 C 19.7258 -1.29338 0.0 0
M V30 38 C 24.7227 -1.2929 0.0 0
M V30 39 C 27.2335 -5.60623 0.0 0
M V30 40 C 24.773 -9.94843 0.0 0
M V30 41 C 19.7826 -10.0113 0.0 0
M V30 42 C 17.2135 -5.73249 0.0 0
M V30 43 Ru 22.1828 -5.65697 0.0 0 CHG=2
M V30 44 F 26.642 -3.175 0.0 0
M V30 45 P 27.508 -2.675 0.0 0 CHG=-1
M V30 46 F 28.374 -3.175 0.0 0
M V30 47 F 27.508 -1.675 0.0 0
M V30 48 F 28.374 -2.175 0.0 0
M V30 49 F 27.508 -3.675 0.0 0
M V30 50 F 26.642 -2.175 0.0 0
M V30 51 F 26.684 -8.725 0.0 0
M V30 52 P 27.55 -8.225 0.0 0 CHG=-1
M V30 53 F 28.416 -8.725 0.0 0
M V30 54 F 27.55 -7.225 0.0 0
M V30 55 F 28.416 -7.725 0.0 0
M V30 56 F 27.55 -9.225 0.0 0
M V30 57 F 26.684 -7.725 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 2 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 1 1 37
M V30 41 1 8 38
M V30 42 1 14 39
M V30 43 1 20 40
M V30 44 1 26 41
M V30 45 1 32 42
M V30 46 10 4 43
M V30 47 10 43 11
M V30 48 10 17 43
M V30 49 10 43 23
M V30 50 10 29 43
M V30 51 10 43 35
M V30 52 1 44 45
M V30 53 1 45 46
M V30 54 1 45 47
M V30 55 1 45 48
M V30 56 1 45 49
M V30 57 1 45 50
M V30 58 1 51 52
M V30 59 1 52 53
M V30 60 1 52 54
M V30 61 1 52 55
M V30 62 1 52 56
M V30 63 1 52 57
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-01242316062D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 42 47 0 0 0
M V30 BEGIN ATOM
M V30 1 Mo 9.1 -6.375 0.0 0 CHG=-2
M V30 2 S 8.23397 -5.875 0.0 0
M V30 3 S 9.96603 -5.875 0.0 0
M V30 4 S 8.23397 -6.875 0.0 0
M V30 5 S 9.96603 -6.875 0.0 0
M V30 6 C 5.60985 -5.85007 0.0 0
M V30 7 C 7.34015 -5.84959 0.0 0
M V30 8 C 6.47664 -5.34997 0.0 0
M V30 9 C 7.34015 -6.85053 0.0 0
M V30 10 O 5.60985 -6.85502 0.0 0
M V30 11 C 6.47882 -7.35003 0.0 0
M V30 12 N 4.74634 -5.35045 0.0 0
M V30 13 C 4.74634 -4.34951 0.0 0
M V30 14 N 6.47664 -4.34502 0.0 0
M V30 15 C 5.60767 -3.85001 0.0 0
M V30 16 C 3.88606 -3.8543 0.0 0
M V30 17 C 3.88386 -2.85839 0.0 0
M V30 18 C 5.60545 -2.85011 0.0 0
M V30 19 C 4.73976 -2.3595 0.0 0
M V30 20 C 5.77171 -8.05714 0.0 0
M V30 21 C 6.97882 -8.21606 0.0 0
M V30 22 C 3.88008 -5.85005 0.0 0
M V30 23 O 9.1 -5.375 0.0 0
M V30 24 C 12.5774 -6.855 0.0 0
M V30 25 C 10.8447 -6.85549 0.0 0
M V30 26 C 11.7094 -7.35581 0.0 0
M V30 27 C 10.8447 -5.85314 0.0 0
M V30 28 O 12.5774 -5.84865 0.0 0
M V30 29 C 11.7073 -5.35294 0.0 0
M V30 30 N 13.4422 -7.35532 0.0 0
M V30 31 C 13.4422 -8.35767 0.0 0
M V30 32 N 11.7094 -8.36216 0.0 0
M V30 33 C 12.5796 -8.85787 0.0 0
M V30 34 C 14.3036 -8.85357 0.0 0
M V30 35 C 14.3058 -9.85087 0.0 0
M V30 36 C 12.5818 -9.85916 0.0 0
M V30 37 C 13.4487 -10.3505 0.0 0
M V30 38 C 12.4153 -4.64485 0.0 0
M V30 39 C 11.2066 -4.48571 0.0 0
M V30 40 C 14.3096 -6.85503 0.0 0
M V30 41 K 9.1 -3.425 0.0 0 CHG=1
M V30 42 K 9.125 -3.925 0.0 0 CHG=1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 8 1 2
M V30 2 8 1 3
M V30 3 8 1 4
M V30 4 8 1 5
M V30 5 1 8 6
M V30 6 2 9 7
M V30 7 1 6 10
M V30 8 1 7 8
M V30 9 1 10 11
M V30 10 1 11 9
M V30 11 1 13 12
M V30 12 2 8 14
M V30 13 1 12 6
M V30 14 1 14 15
M V30 15 2 15 13
M V30 16 2 17 16
M V30 17 1 15 18
M V30 18 1 16 13
M V30 19 2 18 19
M V30 20 1 19 17
M V30 21 1 7 2
M V30 22 1 9 4
M V30 23 1 11 20
M V30 24 1 11 21
M V30 25 1 12 22
M V30 26 2 1 23
M V30 27 1 26 24
M V30 28 2 27 25
M V30 29 1 24 28
M V30 30 1 25 26
M V30 31 1 28 29
M V30 32 1 29 27
M V30 33 1 31 30
M V30 34 2 26 32
M V30 35 1 30 24
M V30 36 1 32 33
M V30 37 2 33 31
M V30 38 2 35 34
M V30 39 1 33 36
M V30 40 1 34 31
M V30 41 2 36 37
M V30 42 1 37 35
M V30 43 1 29 38
M V30 44 1 29 39
M V30 45 1 30 40
M V30 46 1 3 27
M V30 47 1 5 25
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-01242316142D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 63 69 6 0 0
M V30 BEGIN ATOM
M V30 1 N 17.45 -0.225 0.0 0 CHG=1
M V30 2 C 17.45 0.775 0.0 0
M V30 3 C 17.1227 1.71991 0.0 0
M V30 4 C 17.7773 2.47582 0.0 0
M V30 5 C 17.45 3.42073 0.0 0
M V30 6 C 16.45 -0.225 0.0 0
M V30 7 C 17.45 -1.225 0.0 0
M V30 8 C 18.45 -0.225 0.0 0
M V30 9 C 19.3949 0.102337 0.0 0
M V30 10 C 20.1508 -0.55234 0.0 0
M V30 11 C 21.0957 -0.225 0.0 0
M V30 12 C 17.7773 -2.16991 0.0 0
M V30 13 C 17.1227 -2.92582 0.0 0
M V30 14 C 17.45 -3.87073 0.0 0
M V30 15 C 15.5051 -0.55234 0.0 0
M V30 16 C 14.7492 0.102337 0.0 0
M V30 17 C 13.8043 -0.225 0.0 0
M V30 18 Mo 9.4 -6.05 0.0 0 CHG=-1
M V30 19 S 10.266 -5.55 0.0 0
M V30 20 S 8.53397 -6.55 0.0 0
M V30 21 S 8.53397 -5.55 0.0 0
M V30 22 S 10.266 -6.55 0.0 0
M V30 23 O 9.4 -5.05 0.0 0
M V30 24 C 5.65985 -5.65007 0.0 0
M V30 25 C 7.39015 -5.64959 0.0 0
M V30 26 C 6.52664 -5.14997 0.0 0
M V30 27 C 7.39015 -6.65053 0.0 0
M V30 28 O 5.65985 -6.65502 0.0 0
M V30 29 C 6.52882 -7.15003 0.0 0
M V30 30 N 6.52694 -4.14923 0.0 0
M V30 31 C 5.66045 -3.6486 0.0 0
M V30 32 C 4.79366 -4.14871 0.0 0
M V30 33 N 4.79336 -5.14945 0.0 0
M V30 34 C 3.93015 -3.64909 0.0 0
M V30 35 C 3.93015 -2.64814 0.0 0
M V30 36 C 5.66045 -2.64366 0.0 0
M V30 37 C 4.79148 -2.14864 0.0 0
M V30 38 C 5.82171 -7.85714 0.0 0
M V30 39 C 7.23593 -7.85714 0.0 0
M V30 40 C 3.92734 -5.64945 0.0 0
M V30 41 C 7.39296 -3.64923 0.0 0
M V30 42 C 7.39302 -2.6492 0.0 0
M V30 43 O 8.25895 -4.14924 0.0 0
M V30 44 C 13.0574 -6.61528 0.0 0
M V30 45 C 11.3274 -6.61576 0.0 0
M V30 46 C 12.1908 -7.11532 0.0 0
M V30 47 C 11.3274 -5.61495 0.0 0
M V30 48 O 13.0574 -5.61046 0.0 0
M V30 49 C 12.1886 -5.11552 0.0 0
M V30 50 N 12.1904 -8.11592 0.0 0
M V30 51 C 13.0568 -8.61649 0.0 0
M V30 52 C 13.9235 -8.11644 0.0 0
M V30 53 N 13.9238 -7.11584 0.0 0
M V30 54 C 14.7869 -8.616 0.0 0
M V30 55 C 14.7869 -9.61681 0.0 0
M V30 56 C 13.0568 -9.6213 0.0 0
M V30 57 C 13.9257 -10.1162 0.0 0
M V30 58 C 12.8956 -4.4085 0.0 0
M V30 59 C 11.4816 -4.4085 0.0 0
M V30 60 C 14.7897 -6.61591 0.0 0
M V30 61 C 11.3245 -8.61586 0.0 0
M V30 62 C 11.3245 -9.61575 0.0 0
M V30 63 O 10.4587 -8.11591 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 1 4 5
M V30 5 1 1 6
M V30 6 1 1 7
M V30 7 1 1 8
M V30 8 1 8 9
M V30 9 1 9 10
M V30 10 1 10 11
M V30 11 1 7 12
M V30 12 1 12 13
M V30 13 1 13 14
M V30 14 1 6 15
M V30 15 1 15 16
M V30 16 1 16 17
M V30 17 8 18 19
M V30 18 8 18 20
M V30 19 8 18 21
M V30 20 8 18 22
M V30 21 2 18 23
M V30 22 1 26 24
M V30 23 2 27 25
M V30 24 1 24 28
M V30 25 1 25 26
M V30 26 1 28 29
M V30 27 1 29 27
M V30 28 1 26 30
M V30 29 1 30 31
M V30 30 2 31 32
M V30 31 1 32 33
M V30 32 1 33 24
M V30 33 2 35 34
M V30 34 1 31 36
M V30 35 1 34 32
M V30 36 2 36 37
M V30 37 1 37 35
M V30 38 1 29 38
M V30 39 1 29 39
M V30 40 1 33 40
M V30 41 1 30 41
M V30 42 1 42 41
M V30 43 2 41 43
M V30 44 1 46 44
M V30 45 2 47 45
M V30 46 1 44 48
M V30 47 1 45 46
M V30 48 1 48 49
M V30 49 1 49 47
M V30 50 1 46 50
M V30 51 1 50 51
M V30 52 2 51 52
M V30 53 1 52 53
M V30 54 1 53 44
M V30 55 2 55 54
M V30 56 1 51 56
M V30 57 1 54 52
M V30 58 2 56 57
M V30 59 1 57 55
M V30 60 1 49 58
M V30 61 1 49 59
M V30 62 1 53 60
M V30 63 1 50 61
M V30 64 1 62 61
M V30 65 2 61 63
M V30 66 1 25 21
M V30 67 1 27 20
M V30 68 1 22 45
M V30 69 1 19 47
M V30 END BOND
M V30 BEGIN SGROUP
M V30 1 SUP 1 ATOMS=(4 2 3 4 5) BRKXYZ=(9 0.000000 0.000000 0.000000 0.00000-
M V30 0 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0.0-
M V30 00000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000) -
M V30 LABEL=Bu
M V30 2 SUP 2 ATOMS=(4 8 9 10 11) BRKXYZ=(9 0.000000 0.000000 0.000000 0.000-
M V30 000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0-
M V30 .000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000-
M V30 ) LABEL=Bu
M V30 3 SUP 3 ATOMS=(4 7 12 13 14) BRKXYZ=(9 0.000000 0.000000 0.000000 0.00-
M V30 0000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 -
M V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
M V30 0) LABEL=Bu
M V30 4 SUP 4 ATOMS=(4 6 15 16 17) BRKXYZ=(9 0.000000 0.000000 0.000000 0.00-
M V30 0000 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 -
M V30 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.00000-
M V30 0) LABEL=Bu
M V30 5 SUP 5 ATOMS=(3 41 42 43) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000)-
M V30 LABEL=Ac
M V30 6 SUP 6 ATOMS=(3 61 62 63) BRKXYZ=(9 0.000000 0.000000 0.000000 0.0000-
M V30 00 0.000000 0.000000 0.000000 0.000000 0.000000) BRKXYZ=(9 0.000000 0.-
M V30 000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000 0.000000)-
M V30 LABEL=Ac
M V30 END SGROUP
M V30 END CTAB
M END
-INDIGO-01102415272D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 74 79 0 0 0
M V30 BEGIN ATOM
M V30 1 Mo 8.675 -5.8 0.0 0 CHG=-2
M V30 2 S 7.80897 -5.3 0.0 0
M V30 3 S 9.54103 -5.3 0.0 0
M V30 4 S 7.80897 -6.3 0.0 0
M V30 5 S 9.54103 -6.3 0.0 0
M V30 6 C 5.13485 -5.32507 0.0 0
M V30 7 C 6.86515 -5.32459 0.0 0
M V30 8 C 6.00164 -4.82497 0.0 0
M V30 9 C 6.86515 -6.32553 0.0 0
M V30 10 O 5.13485 -6.33002 0.0 0
M V30 11 C 6.00382 -6.82503 0.0 0
M V30 12 N 6.00194 -3.82423 0.0 0
M V30 13 C 5.13545 -3.3236 0.0 0
M V30 14 C 4.26866 -3.82371 0.0 0
M V30 15 N 4.26836 -4.82445 0.0 0
M V30 16 C 3.40515 -3.32409 0.0 0
M V30 17 C 3.40515 -2.32314 0.0 0
M V30 18 C 5.13545 -2.31866 0.0 0
M V30 19 C 4.26648 -1.82364 0.0 0
M V30 20 C 5.29671 -7.53214 0.0 0
M V30 21 C 6.71093 -7.53214 0.0 0
M V30 22 C 12.1924 -6.27275 0.0 0
M V30 23 C 10.4624 -6.27323 0.0 0
M V30 24 C 11.3258 -6.77278 0.0 0
M V30 25 C 10.4624 -5.27245 0.0 0
M V30 26 O 12.1924 -5.26797 0.0 0
M V30 27 C 11.3236 -4.77303 0.0 0
M V30 28 N 11.3255 -7.77335 0.0 0
M V30 29 C 12.1918 -8.2739 0.0 0
M V30 30 C 13.0585 -7.77387 0.0 0
M V30 31 N 13.0588 -6.7733 0.0 0
M V30 32 C 13.9219 -8.27341 0.0 0
M V30 33 C 13.9219 -9.2742 0.0 0
M V30 34 C 12.1918 -9.27868 0.0 0
M V30 35 C 13.0607 -9.77362 0.0 0
M V30 36 C 12.0306 -4.06604 0.0 0
M V30 37 C 10.6166 -4.06604 0.0 0
M V30 38 O 8.675 -4.8 0.0 0
M V30 39 C 13.925 -6.27355 0.0 0
M V30 40 C 3.40218 -5.32419 0.0 0
M V30 41 N 16.475 -1.4 0.0 0 CHG=1
M V30 42 C 16.475 -0.4 0.0 0
M V30 43 C 15.475 -1.4 0.0 0
M V30 44 C 17.475 -1.4 0.0 0
M V30 45 C 16.475 -2.4 0.0 0
M V30 46 C 17.341 0.1 0.0 0
M V30 47 C 17.341 1.1 0.0 0
M V30 48 C 18.2071 1.6 0.0 0
M V30 49 C 17.975 -2.26603 0.0 0
M V30 50 C 18.975 -2.26603 0.0 0
M V30 51 C 19.475 -3.13205 0.0 0
M V30 52 C 15.609 -2.9 0.0 0
M V30 53 C 15.609 -3.9 0.0 0
M V30 54 C 14.7429 -4.4 0.0 0
M V30 55 C 14.975 -0.533975 0.0 0
M V30 56 C 13.975 -0.533975 0.0 0
M V30 57 C 13.475 0.332051 0.0 0
M V30 58 N 19.4 -6.95 0.0 0 CHG=1
M V30 59 C 19.4 -5.95 0.0 0
M V30 60 C 18.4 -6.95 0.0 0
M V30 61 C 20.4 -6.95 0.0 0
M V30 62 C 19.4 -7.95 0.0 0
M V30 63 C 20.266 -5.45 0.0 0
M V30 64 C 20.266 -4.45 0.0 0
M V30 65 C 21.1321 -3.95 0.0 0
M V30 66 C 20.9 -7.81603 0.0 0
M V30 67 C 21.9 -7.81603 0.0 0
M V30 68 C 22.4 -8.68205 0.0 0
M V30 69 C 18.534 -8.45 0.0 0
M V30 70 C 18.534 -9.45 0.0 0
M V30 71 C 17.6679 -9.95 0.0 0
M V30 72 C 17.9 -6.08397 0.0 0
M V30 73 C 16.9 -6.08397 0.0 0
M V30 74 C 16.4 -5.21795 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 8 1 2
M V30 2 8 1 3
M V30 3 8 1 4
M V30 4 8 1 5
M V30 5 1 8 6
M V30 6 2 9 7
M V30 7 1 6 10
M V30 8 1 7 8
M V30 9 1 10 11
M V30 10 1 11 9
M V30 11 2 8 12
M V30 12 1 12 13
M V30 13 2 13 14
M V30 14 1 14 15
M V30 15 1 15 6
M V30 16 2 17 16
M V30 17 1 13 18
M V30 18 1 16 14
M V30 19 2 18 19
M V30 20 1 19 17
M V30 21 1 11 20
M V30 22 1 11 21
M V30 23 1 24 22
M V30 24 2 25 23
M V30 25 1 22 26
M V30 26 1 23 24
M V30 27 1 26 27
M V30 28 1 27 25
M V30 29 2 24 28
M V30 30 1 28 29
M V30 31 2 29 30
M V30 32 1 30 31
M V30 33 1 31 22
M V30 34 2 33 32
M V30 35 1 29 34
M V30 36 1 32 30
M V30 37 2 34 35
M V30 38 1 35 33
M V30 39 1 27 36
M V30 40 1 27 37
M V30 41 1 7 2
M V30 42 1 9 4
M V30 43 1 5 23
M V30 44 1 3 25
M V30 45 2 1 38
M V30 46 1 31 39
M V30 47 1 15 40
M V30 48 1 41 42
M V30 49 1 41 43
M V30 50 1 41 44
M V30 51 1 41 45
M V30 52 1 42 46
M V30 53 1 46 47
M V30 54 1 47 48
M V30 55 1 44 49
M V30 56 1 49 50
M V30 57 1 50 51
M V30 58 1 45 52
M V30 59 1 52 53
M V30 60 1 53 54
M V30 61 1 43 55
M V30 62 1 55 56
M V30 63 1 56 57
M V30 64 1 58 59
M V30 65 1 58 60
M V30 66 1 58 61
M V30 67 1 58 62
M V30 68 1 59 63
M V30 69 1 63 64
M V30 70 1 64 65
M V30 71 1 61 66
M V30 72 1 66 67
M V30 73 1 67 68
M V30 74 1 62 69
M V30 75 1 69 70
M V30 76 1 70 71
M V30 77 1 60 72
M V30 78 1 72 73
M V30 79 1 73 74
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11302312462D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 30 37 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.22629 -7.80601 0.0 0
M V30 2 N 5.90948 -7.56855 0.0 0
M V30 3 C 4.96703 -7.24549 0.0 0
M V30 4 C 6.08213 -8.50205 0.0 0
M V30 5 C 4.36141 -8.74382 0.0 0
M V30 6 C 5.29809 -9.11534 0.0 0
M V30 7 C 4.92207 -6.38756 0.0 0
M V30 8 N 4.11814 -5.81174 0.0 0
M V30 9 C 4.47217 -4.9117 0.0 0
M V30 10 C 5.45493 -4.93524 0.0 0
M V30 11 N 5.71267 -5.91607 0.0 0
M V30 12 C 3.95563 -4.10265 0.0 0
M V30 13 C 4.43773 -3.2562 0.0 0
M V30 14 C 5.97573 -4.1409 0.0 0
M V30 15 C 5.46132 -3.25564 0.0 0
M V30 16 C 8.19043 -5.02095 0.0 0
M V30 17 C 9.64906 -4.15013 0.0 0
M V30 18 C 8.6395 -4.13871 0.0 0
M V30 19 C 10.0934 -5.02704 0.0 0
M V30 20 N 8.55109 -5.74026 0.0 0
M V30 21 C 9.5156 -5.85055 0.0 0
M V30 22 N 8.5589 -7.14296 0.0 0
M V30 23 C 10.2084 -7.55589 0.0 0
M V30 24 C 9.5038 -6.86005 0.0 0
M V30 25 C 9.92498 -8.50582 0.0 0
M V30 26 C 8.33576 -7.91156 0.0 0
M V30 27 C 8.93402 -8.69908 0.0 0
M V30 28 S 7.12277 -8.08302 0.0 0 CHG=-1
M V30 29 Ni 7.04952 -6.51544 0.0 0 CHG=2
M V30 30 S 6.97788 -5.00244 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 3 7
M V30 8 1 7 8
M V30 9 1 8 9
M V30 10 2 9 10
M V30 11 1 10 11
M V30 12 2 11 7
M V30 13 2 13 12
M V30 14 1 10 14
M V30 15 1 12 9
M V30 16 2 14 15
M V30 17 1 15 13
M V30 18 2 18 16
M V30 19 2 19 17
M V30 20 1 16 20
M V30 21 1 17 18
M V30 22 2 20 21
M V30 23 1 21 19
M V30 24 2 24 22
M V30 25 2 25 23
M V30 26 1 22 26
M V30 27 1 23 24
M V30 28 2 26 27
M V30 29 1 27 25
M V30 30 1 26 28
M V30 31 10 20 29
M V30 32 10 11 29
M V30 33 10 2 29
M V30 34 10 22 29
M V30 35 10 28 29
M V30 36 1 16 30
M V30 37 10 30 29
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01252311232D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 30 37 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.11328 -6.99588 0.0 0
M V30 2 N 5.97043 -6.96694 0.0 0
M V30 3 C 5.06556 -6.51543 0.0 0
M V30 4 C 5.83962 -7.95822 0.0 0
M V30 5 C 4.04457 -7.85785 0.0 0
M V30 6 C 4.80838 -8.37469 0.0 0
M V30 7 N 8.53748 -6.34335 0.0 0
M V30 8 C 10.0947 -6.56358 0.0 0
M V30 9 C 9.28611 -6.01049 0.0 0
M V30 10 C 10.0878 -7.47584 0.0 0
M V30 11 C 8.46263 -7.17926 0.0 0
M V30 12 C 9.29975 -7.86191 0.0 0
M V30 13 C 9.72395 -4.21259 0.0 0
M V30 14 N 8.38205 -4.95994 0.0 0
M V30 15 C 9.17536 -4.97982 0.0 0
M V30 16 C 8.08655 -4.2472 0.0 0
M V30 17 C 9.46404 -3.43675 0.0 0
M V30 18 C 8.6765 -3.34062 0.0 0
M V30 19 C 5.01674 -5.7858 0.0 0
M V30 20 S 4.32965 -5.22897 0.0 0
M V30 21 C 4.62248 -4.40093 0.0 0
M V30 22 C 5.63863 -4.4363 0.0 0
M V30 23 N 5.96848 -5.24313 0.0 0
M V30 24 C 4.18681 -3.69801 0.0 0
M V30 25 C 4.65187 -2.96412 0.0 0
M V30 26 C 5.99621 -3.7537 0.0 0
M V30 27 C 5.57138 -2.99334 0.0 0
M V30 28 S 7.16543 -4.54732 0.0 0
M V30 29 S 7.45355 -7.19354 0.0 0
M V30 30 Ni 7.28742 -5.90094 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 1 3 19
M V30 20 1 19 20
M V30 21 1 20 21
M V30 22 2 21 22
M V30 23 1 22 23
M V30 24 2 23 19
M V30 25 2 25 24
M V30 26 1 22 26
M V30 27 1 24 21
M V30 28 2 26 27
M V30 29 1 27 25
M V30 30 1 16 28
M V30 31 1 11 29
M V30 32 8 29 30
M V30 33 8 28 30
M V30 34 10 14 30
M V30 35 10 7 30
M V30 36 10 2 30
M V30 37 10 23 30
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01262316022D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 58 69 0 0 0
M V30 BEGIN ATOM
M V30 1 N 6.98772 -6.7701 0.0 0
M V30 2 C 7.80607 -7.37551 0.0 0
M V30 3 C 7.51066 -8.30641 0.0 0
M V30 4 C 6.49388 -8.31487 0.0 0
M V30 5 C 6.16893 -7.37025 0.0 0
M V30 6 C 6.10232 -3.40916 0.0 0
M V30 7 C 6.44675 -2.53661 0.0 0
M V30 8 C 7.41478 -2.56299 0.0 0
M V30 9 C 7.69742 -3.45888 0.0 0
M V30 10 N 6.89204 -4.05852 0.0 0
M V30 11 C 9.08699 -4.58435 0.0 0
M V30 12 C 10.0503 -4.7827 0.0 0
M V30 13 C 10.1105 -5.73375 0.0 0
M V30 14 C 9.17226 -6.06686 0.0 0
M V30 15 N 8.59884 -5.34847 0.0 0
M V30 16 C 4.64465 -4.5018 0.0 0
M V30 17 N 5.15986 -5.26196 0.0 0
M V30 18 C 4.62597 -5.99495 0.0 0
M V30 19 C 3.64856 -5.69087 0.0 0
M V30 20 C 3.68534 -4.71739 0.0 0
M V30 21 C 5.0256 -7.04334 0.0 0
M V30 22 C 8.87109 -7.05607 0.0 0
M V30 23 C 8.72924 -3.68784 0.0 0
M V30 24 C 5.0393 -3.60776 0.0 0
M V30 25 C 4.4184 -2.82387 0.0 0
M V30 26 C 9.37707 -2.92606 0.0 0
M V30 27 C 9.57674 -7.76464 0.0 0
M V30 28 C 4.34943 -7.78009 0.0 0
M V30 29 C 3.90319 -9.45186 0.0 0
M V30 30 C 4.60881 -8.7466 0.0 0
M V30 31 C 2.93618 -9.19344 0.0 0
M V30 32 C 3.37855 -7.52064 0.0 0
M V30 33 C 2.67598 -8.23235 0.0 0
M V30 34 C 11.2485 -8.21089 0.0 0
M V30 35 C 10.5433 -7.50527 0.0 0
M V30 36 C 10.9901 -9.17789 0.0 0
M V30 37 C 9.31729 -8.73552 0.0 0
M V30 38 C 10.029 -9.43809 0.0 0
M V30 39 C 9.82331 -1.25429 0.0 0
M V30 40 C 9.11769 -1.95954 0.0 0
M V30 41 C 10.7903 -1.5127 0.0 0
M V30 42 C 10.3479 -3.18551 0.0 0
M V30 43 C 11.0505 -2.47379 0.0 0
M V30 44 C 2.74663 -2.37763 0.0 0
M V30 45 C 3.45188 -3.08325 0.0 0
M V30 46 C 3.00504 -1.41062 0.0 0
M V30 47 C 4.67784 -1.853 0.0 0
M V30 48 C 3.96613 -1.15042 0.0 0
M V30 49 O 5.64284 -1.59073 0.0 0
M V30 50 O 3.19312 -4.04919 0.0 0
M V30 51 O 3.11629 -6.55564 0.0 0
M V30 52 O 5.57475 -9.00537 0.0 0
M V30 53 O 8.35229 -8.99778 0.0 0
M V30 54 O 10.802 -6.53932 0.0 0
M V30 55 O 10.6102 -4.1505 0.0 0
M V30 56 O 8.15175 -1.70078 0.0 0
M V30 57 Fe 6.95 -5.3 0.0 0
M V30 58 Cl 7.65 -4.65 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 2 3 4
M V30 4 1 4 5
M V30 5 1 5 1
M V30 6 2 6 7
M V30 7 1 7 8
M V30 8 2 8 9
M V30 9 1 9 10
M V30 10 1 10 6
M V30 11 1 11 12
M V30 12 2 12 13
M V30 13 1 13 14
M V30 14 2 14 15
M V30 15 1 15 11
M V30 16 1 16 17
M V30 17 2 17 18
M V30 18 1 18 19
M V30 19 2 19 20
M V30 20 1 20 16
M V30 21 1 18 21
M V30 22 2 21 5
M V30 23 2 2 22
M V30 24 1 14 22
M V30 25 2 11 23
M V30 26 1 23 9
M V30 27 2 16 24
M V30 28 1 24 6
M V30 29 1 24 25
M V30 30 1 23 26
M V30 31 1 22 27
M V30 32 1 21 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 47 49
M V30 58 1 45 50
M V30 59 1 32 51
M V30 60 1 30 52
M V30 61 1 37 53
M V30 62 1 35 54
M V30 63 1 42 55
M V30 64 1 40 56
M V30 65 10 17 57
M V30 66 10 15 57
M V30 67 8 10 57
M V30 68 8 1 57
M V30 69 8 58 57
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-02142311402D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 37 45 0 0 0
M V30 BEGIN ATOM
M V30 1 N 10.4686 -4.89367 0.0 0
M V30 2 C 9.86013 -3.35178 0.0 0
M V30 3 C 9.7559 -4.32845 0.0 0
M V30 4 C 10.5812 -2.93696 0.0 0
M V30 5 C 11.2912 -4.28715 0.0 0
M V30 6 C 11.2672 -3.32813 0.0 0
M V30 7 C 11.926 -4.59035 0.0 0
M V30 8 C 13.407 -4.41796 0.0 0
M V30 9 C 12.6927 -4.07702 0.0 0
M V30 10 C 13.4744 -5.24515 0.0 0
M V30 11 N 11.9424 -5.66607 0.0 0
M V30 12 C 12.7601 -5.88523 0.0 0
M V30 13 N 12.1907 -7.31984 0.0 0
M V30 14 C 13.8922 -7.57782 0.0 0
M V30 15 C 13.0884 -6.97298 0.0 0
M V30 16 C 13.8688 -8.43063 0.0 0
M V30 17 C 12.3039 -8.35398 0.0 0
M V30 18 C 13.1498 -8.81725 0.0 0
M V30 19 C 11.6693 -8.71536 0.0 0
M V30 20 C 11.0428 -10.0631 0.0 0
M V30 21 C 11.7283 -9.63489 0.0 0
M V30 22 C 10.2824 -9.6709 0.0 0
M V30 23 N 10.7291 -8.179 0.0 0
M V30 24 C 10.1211 -8.72059 0.0 0
M V30 25 C 7.40786 -6.05302 0.0 0
M V30 26 C 7.41674 -5.26498 0.0 0
M V30 27 C 8.98334 -5.17125 0.0 0
M V30 28 C 8.22399 -6.45531 0.0 0
M V30 29 N 9.14653 -5.94372 0.0 0
M V30 30 C 8.17252 -7.17954 0.0 0
M V30 31 C 8.93917 -8.5102 0.0 0
M V30 32 N 9.12933 -7.59242 0.0 0
M V30 33 C 8.01894 -8.86654 0.0 0
M V30 34 C 7.37472 -7.63591 0.0 0
M V30 35 C 7.32652 -8.42014 0.0 0
M V30 36 C 8.11795 -4.83872 0.0 0
M V30 37 Ru 10.613 -6.61608 0.0 0 CHG=2
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 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 26 25
M V30 28 1 25 28
M V30 29 2 28 29
M V30 30 1 29 27
M V30 31 1 28 30
M V30 32 2 32 30
M V30 33 2 33 31
M V30 34 1 30 34
M V30 35 1 31 32
M V30 36 2 34 35
M V30 37 1 35 33
M V30 38 2 27 36
M V30 39 1 36 26
M V30 40 10 29 37
M V30 41 10 32 37
M V30 42 10 23 37
M V30 43 10 13 37
M V30 44 10 11 37
M V30 45 10 1 37
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-01102415542D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 27 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.40083 -3.01814 0.0 0
M V30 2 C 7.89956 -3.88287 0.0 0
M V30 3 C 7.40155 -3.01842 0.0 0
M V30 4 N 7.39909 -4.74971 0.0 0
M V30 5 C 5.89836 -3.88844 0.0 0
M V30 6 C 6.40341 -4.75162 0.0 0
M V30 7 C 7.90019 -2.15789 0.0 0
M V30 8 C 8.89805 -2.15853 0.0 0
M V30 9 C 8.90142 -3.88351 0.0 0
M V30 10 C 9.39546 -3.01753 0.0 0
M V30 11 C 10.3894 -3.01305 0.0 0
M V30 12 C 10.8927 -3.87395 0.0 0
M V30 13 N 9.40673 -4.74785 0.0 0
M V30 14 C 10.403 -4.73667 0.0 0
M V30 15 O 7.40019 -1.29186 0.0 0
M V30 16 O 9.39805 -1.2925 0.0 0
M V30 17 Mn 8.375 -5.525 0.0 0 CHG=1
M V30 18 C 7.50897 -6.025 0.0 0 CHG=-1
M V30 19 C 9.24102 -6.025 0.0 0 CHG=-1
M V30 20 C 8.375 -6.525 0.0 0 CHG=-1
M V30 21 Br 8.375 -4.525 0.0 0 CHG=-1
M V30 22 O 6.64295 -6.525 0.0 0 CHG=1
M V30 23 O 8.375 -7.525 0.0 0 CHG=1
M V30 24 O 10.1071 -6.525 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 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 9 13
M V30 14 1 11 10
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 2 7 15
M V30 18 2 8 16
M V30 19 10 4 17
M V30 20 10 13 17
M V30 21 10 17 18
M V30 22 10 17 19
M V30 23 10 17 20
M V30 24 10 17 21
M V30 25 3 18 22
M V30 26 3 20 23
M V30 27 3 19 24
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01102415522D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 33 35 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.22511 -3.34193 0.0 0
M V30 2 C 8.22463 -1.61163 0.0 0
M V30 3 C 7.72501 -2.47514 0.0 0
M V30 4 C 9.22557 -1.61163 0.0 0
M V30 5 C 9.23006 -3.34193 0.0 0
M V30 6 C 9.72507 -2.47296 0.0 0
M V30 7 N 7.72549 -4.20544 0.0 0
M V30 8 C 6.72455 -4.20544 0.0 0
M V30 9 C 6.72006 -2.47514 0.0 0
M V30 10 C 6.22505 -3.34411 0.0 0
M V30 11 C 10.7221 -2.46783 0.0 0
M V30 12 C 11.2275 -3.33106 0.0 0
M V30 13 N 9.73749 -4.20861 0.0 0
M V30 14 C 10.7369 -4.19675 0.0 0
M V30 15 O 7.72503 -0.74537 0.0 0
M V30 16 O 9.72474 -0.745122 0.0 0
M V30 17 Mn 8.75 -4.975 0.0 0 CHG=1
M V30 18 N 10.8 -4.975 0.0 0
M V30 19 C 7.76789 -5.55711 0.0 0 CHG=-1
M V30 20 C 9.78211 -5.53211 0.0 0 CHG=-1
M V30 21 C 8.75 -5.975 0.0 0 CHG=-1
M V30 22 O 6.90187 -6.05711 0.0 0 CHG=1
M V30 23 O 8.75 -6.975 0.0 0 CHG=1
M V30 24 O 10.6481 -6.03211 0.0 0 CHG=1
M V30 25 C 11.5909 -4.96618 0.0 0
M V30 26 C 12.3319 -4.95736 0.0 0
M V30 27 F 12.617 -2.25 0.0 0
M V30 28 P 13.483 -1.75 0.0 0 CHG=-1
M V30 29 F 14.349 -2.25 0.0 0
M V30 30 F 13.483 -0.75 0.0 0
M V30 31 F 14.349 -1.25 0.0 0
M V30 32 F 12.617 -1.25 0.0 0
M V30 33 F 13.483 -2.75 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 3 1
M V30 2 1 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 3 9
M V30 9 1 7 1
M V30 10 2 9 10
M V30 11 1 10 8
M V30 12 2 12 11
M V30 13 1 5 13
M V30 14 1 11 6
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 2 2 15
M V30 18 2 4 16
M V30 19 10 7 17
M V30 20 10 17 13
M V30 21 10 17 18
M V30 22 10 17 19
M V30 23 10 17 20
M V30 24 10 17 21
M V30 25 3 19 22
M V30 26 3 21 23
M V30 27 3 20 24
M V30 28 3 18 25
M V30 29 1 25 26
M V30 30 1 27 28
M V30 31 1 28 29
M V30 32 1 28 30
M V30 33 1 28 31
M V30 34 1 28 32
M V30 35 1 28 33
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01102416172D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 59 66 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.80734 -5.92117 0.0 0
M V30 2 N 5.5365 -5.92069 0.0 0
M V30 3 C 4.67356 -5.42139 0.0 0
M V30 4 C 5.5365 -6.92097 0.0 0
M V30 5 C 3.80734 -6.92546 0.0 0
M V30 6 C 4.67574 -7.42014 0.0 0
M V30 7 C 4.67417 -4.42205 0.0 0
M V30 8 C 3.80816 -2.92538 0.0 0
M V30 9 C 3.8079 -3.92236 0.0 0
M V30 10 C 4.6741 -2.42466 0.0 0
M V30 11 N 5.54357 -3.91933 0.0 0
M V30 12 C 5.53711 -2.91993 0.0 0
M V30 13 C 6.40029 -2.41635 0.0 0
M V30 14 C 7.26345 -0.918028 0.0 0
M V30 15 C 6.39991 -1.41629 0.0 0
M V30 16 C 8.13006 -1.41759 0.0 0
M V30 17 N 7.27036 -2.91791 0.0 0
M V30 18 C 8.13264 -2.41262 0.0 0
M V30 19 C 10.5437 -5.76336 0.0 0
M V30 20 C 10.5432 -4.0342 0.0 0
M V30 21 N 10.0439 -4.89715 0.0 0
M V30 22 C 11.5435 -4.0342 0.0 0
M V30 23 C 11.548 -5.76336 0.0 0
M V30 24 C 12.0427 -4.89496 0.0 0
M V30 25 C 12.048 -6.63075 0.0 0
M V30 26 C 11.546 -7.50082 0.0 0
M V30 27 C 10.0397 -6.63692 0.0 0
M V30 28 C 10.5468 -7.50303 0.0 0
M V30 29 P 9.0397 -6.64011 0.0 0
M V30 30 C 8.0076 -7.07221 0.0 0
M V30 31 C 9.29852 -7.60603 0.0 0
M V30 32 C 10.5232 -8.82838 0.0 0
M V30 33 C 10.2652 -7.86467 0.0 0
M V30 34 C 9.81589 -9.53662 0.0 0
M V30 35 C 8.5884 -8.31711 0.0 0
M V30 36 C 8.85347 -9.28142 0.0 0
M V30 37 C 7.14387 -8.57152 0.0 0
M V30 38 C 8.00798 -8.07293 0.0 0
M V30 39 C 6.27669 -8.07163 0.0 0
M V30 40 C 7.13695 -6.57032 0.0 0
M V30 41 C 6.27411 -7.07595 0.0 0
M V30 42 Ru 7.475 -4.725 0.0 0 CHG=2
M V30 43 N 8.725 -3.53397 0.0 0
M V30 44 C 9.43211 -2.82687 0.0 0
M V30 45 C 10.1392 -2.11976 0.0 0
M V30 46 F 12.484 -2.575 0.0 0
M V30 47 P 13.35 -2.075 0.0 0 CHG=-1
M V30 48 F 14.216 -2.575 0.0 0
M V30 49 F 13.35 -1.075 0.0 0
M V30 50 F 14.216 -1.575 0.0 0
M V30 51 F 13.35 -3.075 0.0 0
M V30 52 F 12.484 -1.575 0.0 0
M V30 53 F 13.559 -6.15 0.0 0
M V30 54 P 14.425 -5.65 0.0 0 CHG=-1
M V30 55 F 15.291 -6.15 0.0 0
M V30 56 F 14.425 -4.65 0.0 0
M V30 57 F 15.291 -5.15 0.0 0
M V30 58 F 14.425 -6.65 0.0 0
M V30 59 F 13.559 -5.15 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 3 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 12 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 1 21 19
M V30 22 1 22 20
M V30 23 2 19 23
M V30 24 2 20 21
M V30 25 1 23 24
M V30 26 2 24 22
M V30 27 2 26 25
M V30 28 1 19 27
M V30 29 1 25 23
M V30 30 2 27 28
M V30 31 1 28 26
M V30 32 1 27 29
M V30 33 1 29 30
M V30 34 1 29 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 2 38 30
M V30 42 2 39 37
M V30 43 1 30 40
M V30 44 1 37 38
M V30 45 2 40 41
M V30 46 1 41 39
M V30 47 10 42 43
M V30 48 3 43 44
M V30 49 1 44 45
M V30 50 10 17 42
M V30 51 10 11 42
M V30 52 10 2 42
M V30 53 10 21 42
M V30 54 10 29 42
M V30 55 1 46 47
M V30 56 1 47 48
M V30 57 1 47 49
M V30 58 1 47 50
M V30 59 1 47 51
M V30 60 1 47 52
M V30 61 1 53 54
M V30 62 1 54 55
M V30 63 1 54 56
M V30 64 1 54 57
M V30 65 1 54 58
M V30 66 1 54 59
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-01102416202D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 36 40 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.73485 -2.97507 0.0 0
M V30 2 C 6.46515 -2.97459 0.0 0
M V30 3 C 5.60164 -2.47497 0.0 0
M V30 4 N 6.46515 -3.97553 0.0 0
M V30 5 C 4.73485 -3.98002 0.0 0
M V30 6 C 5.60382 -4.47503 0.0 0
M V30 7 C 5.60768 -5.47503 0.0 0
M V30 8 C 6.47425 -6.97269 0.0 0
M V30 9 N 6.47451 -5.97505 0.0 0
M V30 10 C 5.60775 -7.47374 0.0 0
M V30 11 C 4.73771 -5.97808 0.0 0
M V30 12 C 4.74417 -6.97814 0.0 0
M V30 13 C 7.33141 -2.47499 0.0 0
M V30 14 C 7.34038 -7.47251 0.0 0
M V30 15 C 9.07068 -7.47086 0.0 0
M V30 16 C 8.20683 -6.97182 0.0 0
M V30 17 C 9.07135 -8.47181 0.0 0
M V30 18 C 7.34106 -8.47746 0.0 0
M V30 19 C 8.21036 -8.97189 0.0 0
M V30 20 C 8.19513 -0.975685 0.0 0
M V30 21 C 7.33103 -1.47428 0.0 0
M V30 22 C 9.06231 -1.47558 0.0 0
M V30 23 C 8.20205 -2.97688 0.0 0
M V30 24 C 9.06489 -2.47126 0.0 0
M V30 25 C 6.46497 -0.974331 0.0 0
M V30 26 C 9.92752 -0.974162 0.0 0
M V30 27 C 8.20562 -3.97688 0.0 0
M V30 28 C 8.20677 -5.97182 0.0 0
M V30 29 C 6.47682 -8.98054 0.0 0
M V30 30 C 9.93819 -8.97039 0.0 0
M V30 31 Mn 9.55 -5.025 0.0 0 CHG=1
M V30 32 Br 9.55 -3.675 0.0 0 CHG=-1
M V30 33 C 10.741 -4.3 0.0 0 CHG=-1
M V30 34 C 10.741 -5.75 0.0 0 CHG=-1
M V30 35 O 11.607 -3.8 0.0 0 CHG=1
M V30 36 O 11.607 -6.25 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 6 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 2 13
M V30 15 1 8 14
M V30 16 2 16 14
M V30 17 2 17 15
M V30 18 1 14 18
M V30 19 1 15 16
M V30 20 2 18 19
M V30 21 1 19 17
M V30 22 2 21 13
M V30 23 2 22 20
M V30 24 1 13 23
M V30 25 1 20 21
M V30 26 2 23 24
M V30 27 1 24 22
M V30 28 1 21 25
M V30 29 1 22 26
M V30 30 1 23 27
M V30 31 1 16 28
M V30 32 1 18 29
M V30 33 1 17 30
M V30 34 10 4 31
M V30 35 10 9 31
M V30 36 10 31 32
M V30 37 10 31 33
M V30 38 10 31 34
M V30 39 3 33 35
M V30 40 3 34 36
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-03202311252D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 22 25 0 0 0
M V30 BEGIN ATOM
M V30 1 Mn 8.825 -5.95 0.0 0 CHG=1
M V30 2 C 6.77583 -3.41814 0.0 0
M V30 3 C 8.27456 -4.28287 0.0 0
M V30 4 C 7.77655 -3.41842 0.0 0
M V30 5 N 7.77409 -5.14971 0.0 0
M V30 6 C 6.27336 -4.28844 0.0 0
M V30 7 C 6.77841 -5.15162 0.0 0
M V30 8 C 8.27519 -2.55789 0.0 0
M V30 9 C 9.27305 -2.55853 0.0 0
M V30 10 C 9.27642 -4.28351 0.0 0
M V30 11 C 9.77046 -3.41753 0.0 0
M V30 12 C 10.7644 -3.41305 0.0 0
M V30 13 C 11.2677 -4.27395 0.0 0
M V30 14 N 9.78173 -5.14785 0.0 0
M V30 15 C 10.778 -5.13666 0.0 0
M V30 16 Br 8.825 -4.95 0.0 0 CHG=-1
M V30 17 C 7.95897 -6.45 0.0 0
M V30 18 C 8.825 -6.95 0.0 0
M V30 19 C 9.69103 -6.45 0.0 0
M V30 20 O 7.09295 -6.95 0.0 0
M V30 21 O 8.825 -7.95 0.0 0
M V30 22 O 10.5571 -6.95 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 9 8
M V30 8 1 3 10
M V30 9 1 8 4
M V30 10 2 10 11
M V30 11 1 11 9
M V30 12 2 13 12
M V30 13 1 10 14
M V30 14 1 12 11
M V30 15 2 14 15
M V30 16 1 15 13
M V30 17 8 5 1
M V30 18 8 14 1
M V30 19 8 1 16
M V30 20 8 1 17
M V30 21 8 1 18
M V30 22 8 1 19
M V30 23 3 17 20
M V30 24 3 18 21
M V30 25 3 19 22
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01102416302D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 21 23 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.73485 -3.35007 0.0 0
M V30 2 C 5.46515 -3.34959 0.0 0
M V30 3 C 4.60164 -2.84997 0.0 0
M V30 4 N 5.46515 -4.35053 0.0 0
M V30 5 C 3.73485 -4.35502 0.0 0
M V30 6 C 4.60382 -4.85003 0.0 0
M V30 7 C 4.60768 -5.85003 0.0 0
M V30 8 C 5.47425 -7.34769 0.0 0
M V30 9 N 5.47451 -6.35005 0.0 0
M V30 10 C 4.60775 -7.84874 0.0 0
M V30 11 C 3.73771 -6.35308 0.0 0
M V30 12 C 3.74417 -7.35314 0.0 0
M V30 13 Mn 6.4 -5.375 0.0 0 CHG=1
M V30 14 C 6.4 -4.375 0.0 0 CHG=-1
M V30 15 C 7.10711 -4.66789 0.0 0 CHG=-1
M V30 16 C 7.26603 -5.875 0.0 0 CHG=-1
M V30 17 C 6.4 -6.375 0.0 0 CHG=-1
M V30 18 O 6.4 -3.375 0.0 0 CHG=1
M V30 19 O 7.81421 -3.96079 0.0 0 CHG=1
M V30 20 O 8.13205 -6.375 0.0 0 CHG=1
M V30 21 N 6.4 -7.375 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 6 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 10 4 13
M V30 15 10 9 13
M V30 16 10 13 14
M V30 17 10 13 15
M V30 18 10 13 16
M V30 19 10 13 17
M V30 20 3 14 18
M V30 21 3 15 19
M V30 22 3 16 20
M V30 23 3 17 21
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-02262410222D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 180 201 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.35983 -3.83559 0.0 0
M V30 2 C 7.69328 -4.60497 0.0 0
M V30 3 C 7.25019 -3.83585 0.0 0
M V30 4 C 7.248 -5.37622 0.0 0
M V30 5 C 5.91276 -4.60993 0.0 0
M V30 6 C 6.36212 -5.37792 0.0 0
M V30 7 C 9.11694 -9.62574 0.0 0
M V30 8 C 9.11651 -8.08625 0.0 0
M V30 9 C 8.67199 -8.85454 0.0 0
M V30 10 C 10.0071 -8.08625 0.0 0
M V30 11 C 10.0111 -9.62574 0.0 0
M V30 12 C 10.4515 -8.8526 0.0 0
M V30 13 C 11.7872 -3.79111 0.0 0
M V30 14 C 13.1206 -4.56048 0.0 0
M V30 15 C 12.6775 -3.79137 0.0 0
M V30 16 C 12.6753 -5.33173 0.0 0
M V30 17 C 11.3401 -4.56545 0.0 0
M V30 18 C 11.7894 -5.33344 0.0 0
M V30 19 P 7.69505 -3.06532 0.0 0
M V30 20 P 11.3423 -3.02058 0.0 0
M V30 21 P 5.91725 -6.14844 0.0 0
M V30 22 P 7.78226 -8.85454 0.0 0
M V30 23 P 11.3412 -8.8526 0.0 0
M V30 24 P 13.1202 -6.10226 0.0 0
M V30 25 Re 12.2309 -7.49758 0.0 0 CHG=1
M V30 26 Re 6.91477 -7.54207 0.0 0 CHG=1
M V30 27 Re 9.49497 -3.04895 0.0 0 CHG=1
M V30 28 C 11.3412 -7.49758 0.0 0 CHG=-1
M V30 29 C 11.786 -6.72705 0.0 0 CHG=-1
M V30 30 C 9.05011 -3.81948 0.0 0 CHG=-1
M V30 31 C 9.93984 -3.81948 0.0 0 CHG=-1
M V30 32 C 7.80449 -7.54207 0.0 0 CHG=-1
M V30 33 C 7.35963 -6.77154 0.0 0 CHG=-1
M V30 34 O 7.80449 -6.00102 0.0 0 CHG=1
M V30 35 O 8.69422 -7.54207 0.0 0 CHG=1
M V30 36 O 10.4514 -7.49758 0.0 0 CHG=1
M V30 37 O 11.3412 -5.95653 0.0 0 CHG=1
M V30 38 O 8.60525 -4.59 0.0 0 CHG=1
M V30 39 O 10.3847 -4.59 0.0 0 CHG=1
M V30 40 C 13.7493 -5.47313 0.0 0
M V30 41 C 14.1464 -3.98571 0.0 0
M V30 42 C 13.5186 -4.61319 0.0 0
M V30 43 C 15.0067 -4.21563 0.0 0
M V30 44 C 14.6131 -5.70396 0.0 0
M V30 45 C 15.2382 -5.07073 0.0 0
M V30 46 C 13.8907 -6.54712 0.0 0
M V30 47 C 15.4302 -6.54565 0.0 0
M V30 48 C 14.6616 -6.10165 0.0 0
M V30 49 C 15.4308 -7.43622 0.0 0
M V30 50 C 13.8913 -7.44124 0.0 0
M V30 51 C 14.6647 -7.88115 0.0 0
M V30 52 C 12.2017 -2.7903 0.0 0
M V30 53 C 13.2892 -1.70068 0.0 0
M V30 54 C 12.4318 -1.93019 0.0 0
M V30 55 C 13.9194 -2.32998 0.0 0
M V30 56 C 12.8344 -3.42212 0.0 0
M V30 57 C 13.6923 -3.18628 0.0 0
M V30 58 C 11.3423 -2.13085 0.0 0
M V30 59 C 10.5713 -0.798349 0.0 0
M V30 60 C 10.571 -1.68597 0.0 0
M V30 61 C 11.3422 -0.352549 0.0 0
M V30 62 C 12.1163 -1.68328 0.0 0
M V30 63 C 12.1106 -0.793501 0.0 0
M V30 64 C 6.83565 -2.83505 0.0 0
M V30 65 C 5.34899 -3.23491 0.0 0
M V30 66 C 6.2063 -3.46486 0.0 0
M V30 67 C 5.11792 -2.37484 0.0 0
M V30 68 C 6.60365 -1.97154 0.0 0
M V30 69 C 5.7427 -1.7468 0.0 0
M V30 70 C 7.69505 -2.1756 0.0 0
M V30 71 C 6.92404 -0.843091 0.0 0
M V30 72 C 6.92381 -1.73071 0.0 0
M V30 73 C 7.69499 -0.397292 0.0 0
M V30 74 C 8.46908 -1.72801 0.0 0
M V30 75 C 8.46334 -0.838244 0.0 0
M V30 76 C 11.111 -9.71202 0.0 0
M V30 77 C 11.5108 -11.1987 0.0 0
M V30 78 C 11.7407 -10.3413 0.0 0
M V30 79 C 10.6507 -11.4297 0.0 0
M V30 80 C 10.2474 -9.94397 0.0 0
M V30 81 C 10.0227 -10.805 0.0 0
M V30 82 C 12.1117 -9.29746 0.0 0
M V30 83 C 13.6512 -9.29599 0.0 0
M V30 84 C 12.8827 -8.85198 0.0 0
M V30 85 C 13.6519 -10.1866 0.0 0
M V30 86 C 12.1124 -10.1916 0.0 0
M V30 87 C 12.8858 -10.6315 0.0 0
M V30 88 C 8.01254 -9.71397 0.0 0
M V30 89 C 9.10216 -10.8015 0.0 0
M V30 90 C 8.87265 -9.94406 0.0 0
M V30 91 C 8.47286 -11.4317 0.0 0
M V30 92 C 7.38072 -10.3466 0.0 0
M V30 93 C 7.61656 -11.2046 0.0 0
M V30 94 C 7.01173 -9.2994 0.0 0
M V30 95 C 6.24326 -10.6333 0.0 0
M V30 96 C 7.01207 -10.1898 0.0 0
M V30 97 C 5.47171 -10.1886 0.0 0
M V30 98 C 6.2371 -8.85285 0.0 0
M V30 99 C 5.46941 -9.30273 0.0 0
M V30 100 C 5.28812 -5.51931 0.0 0
M V30 101 C 3.8007 -5.12228 0.0 0
M V30 102 C 4.42819 -5.75009 0.0 0
M V30 103 C 4.03063 -4.26191 0.0 0
M V30 104 C 5.51896 -4.6555 0.0 0
M V30 105 C 4.88573 -4.0304 0.0 0
M V30 106 C 5.14672 -6.59331 0.0 0
M V30 107 C 4.37825 -7.92728 0.0 0
M V30 108 C 5.14707 -7.48367 0.0 0
M V30 109 C 3.6067 -7.48252 0.0 0
M V30 110 C 4.37209 -6.14676 0.0 0
M V30 111 C 3.6044 -6.59663 0.0 0
M V30 112 C 15.9538 -7.84068 0.0 0
M V30 113 C 17.2873 -8.61006 0.0 0
M V30 114 C 16.8442 -7.84094 0.0 0
M V30 115 C 16.842 -9.38131 0.0 0
M V30 116 N 15.5068 -8.61502 0.0 0
M V30 117 C 15.9561 -9.38302 0.0 0
M V30 118 C 15.5112 -10.1535 0.0 0
M V30 119 C 15.5127 -11.693 0.0 0
M V30 120 C 15.9567 -10.9244 0.0 0
M V30 121 C 14.6221 -11.6936 0.0 0
M V30 122 N 14.6171 -10.1541 0.0 0
M V30 123 C 14.1772 -10.9276 0.0 0
M V30 124 R# 15.9576 -12.4636 0.0 0 RGROUPS=(1 1)
M V30 125 R# 18.177 -8.61006 0.0 0 RGROUPS=(1 1)
M V30 126 C 7.63909 0.0146492 0.0 0
M V30 127 C 7.63865 1.55414 0.0 0
M V30 128 C 7.19412 0.785853 0.0 0
M V30 129 C 8.52921 1.55414 0.0 0
M V30 130 N 8.53321 0.0146492 0.0 0
M V30 131 C 8.97363 0.787792 0.0 0
M V30 132 C 9.86335 0.787792 0.0 0
M V30 133 C 11.1959 1.55881 0.0 0
M V30 134 C 10.3082 1.55904 0.0 0
M V30 135 C 11.6417 0.787854 0.0 0
M V30 136 N 10.3109 0.0137595 0.0 0
M V30 137 C 11.2008 0.0195098 0.0 0
M V30 138 R# 11.6407 2.32933 0.0 0 RGROUPS=(1 1)
M V30 139 R# 7.19379 2.32467 0.0 0 RGROUPS=(1 1)
M V30 140 C 4.8284 -10.9379 0.0 0
M V30 141 C 3.49538 -11.708 0.0 0
M V30 142 C 4.38299 -11.7088 0.0 0
M V30 143 C 3.05009 -10.9367 0.0 0
M V30 144 N 4.38134 -10.1636 0.0 0
M V30 145 C 3.49156 -10.1687 0.0 0
M V30 146 C 3.0467 -9.39818 0.0 0
M V30 147 C 1.71272 -8.6297 0.0 0
M V30 148 C 2.15633 -9.39851 0.0 0
M V30 149 C 2.15749 -7.85815 0.0 0
M V30 150 N 3.49324 -8.62354 0.0 0
M V30 151 C 3.04337 -7.85585 0.0 0
M V30 152 R# 0.822997 -8.6297 0.0 0 RGROUPS=(1 1)
M V30 153 R# 3.05051 -12.4785 0.0 0 RGROUPS=(1 1)
M V30 154 R# 4.82786 -12.4793 0.0 0 RGROUPS=(1 2)
M V30 155 R# 1.71137 -7.08835 0.0 0 RGROUPS=(1 2)
M V30 156 R# 14.1785 -12.4648 0.0 0 RGROUPS=(1 2)
M V30 157 R# 17.2895 -7.07069 0.0 0 RGROUPS=(1 2)
M V30 158 R# 6.3044 0.786395 0.0 0 RGROUPS=(1 2)
M V30 159 R# 12.5314 0.789322 0.0 0 RGROUPS=(1 2)
M V30 160 P 16.625 -2.225 0.0 0 CHG=-1
M V30 161 F 16.125 -1.35897 0.0 0
M V30 162 F 16.125 -3.09103 0.0 0
M V30 163 F 17.625 -2.225 0.0 0
M V30 164 F 17.125 -1.35897 0.0 0
M V30 165 F 17.125 -3.09103 0.0 0
M V30 166 F 15.625 -2.225 0.0 0
M V30 167 P 2.775 -2.375 0.0 0 CHG=-1
M V30 168 F 2.275 -1.50897 0.0 0
M V30 169 F 2.275 -3.24103 0.0 0
M V30 170 F 3.775 -2.375 0.0 0
M V30 171 F 3.275 -1.50897 0.0 0
M V30 172 F 3.275 -3.24103 0.0 0
M V30 173 F 1.775 -2.375 0.0 0
M V30 174 P 9.55 -13.35 0.0 0 CHG=-1
M V30 175 F 9.05 -12.484 0.0 0
M V30 176 F 9.05 -14.216 0.0 0
M V30 177 F 10.55 -13.35 0.0 0
M V30 178 F 10.05 -12.484 0.0 0
M V30 179 F 10.05 -14.216 0.0 0
M V30 180 F 8.55 -13.35 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 1 3 19
M V30 20 1 13 20
M V30 21 1 6 21
M V30 22 1 9 22
M V30 23 1 12 23
M V30 24 1 16 24
M V30 25 8 19 27
M V30 26 8 20 27
M V30 27 8 21 26
M V30 28 8 22 26
M V30 29 8 23 25
M V30 30 8 24 25
M V30 31 10 25 28
M V30 32 10 25 29
M V30 33 10 27 30
M V30 34 10 27 31
M V30 35 10 26 32
M V30 36 10 26 33
M V30 37 3 33 34
M V30 38 3 32 35
M V30 39 3 28 36
M V30 40 3 29 37
M V30 41 3 30 38
M V30 42 3 31 39
M V30 43 1 24 40
M V30 44 2 42 40
M V30 45 2 43 41
M V30 46 1 40 44
M V30 47 1 41 42
M V30 48 2 44 45
M V30 49 1 45 43
M V30 50 1 24 46
M V30 51 2 48 46
M V30 52 2 49 47
M V30 53 1 46 50
M V30 54 1 47 48
M V30 55 2 50 51
M V30 56 1 51 49
M V30 57 1 20 52
M V30 58 2 54 52
M V30 59 2 55 53
M V30 60 1 52 56
M V30 61 1 53 54
M V30 62 2 56 57
M V30 63 1 57 55
M V30 64 1 20 58
M V30 65 2 60 58
M V30 66 2 61 59
M V30 67 1 58 62
M V30 68 1 59 60
M V30 69 2 62 63
M V30 70 1 63 61
M V30 71 1 19 64
M V30 72 2 66 64
M V30 73 2 67 65
M V30 74 1 64 68
M V30 75 1 65 66
M V30 76 2 68 69
M V30 77 1 69 67
M V30 78 1 19 70
M V30 79 2 72 70
M V30 80 2 73 71
M V30 81 1 70 74
M V30 82 1 71 72
M V30 83 2 74 75
M V30 84 1 75 73
M V30 85 1 23 76
M V30 86 2 78 76
M V30 87 2 79 77
M V30 88 1 76 80
M V30 89 1 77 78
M V30 90 2 80 81
M V30 91 1 81 79
M V30 92 1 23 82
M V30 93 2 84 82
M V30 94 2 85 83
M V30 95 1 82 86
M V30 96 1 83 84
M V30 97 2 86 87
M V30 98 1 87 85
M V30 99 1 22 88
M V30 100 2 90 88
M V30 101 2 91 89
M V30 102 1 88 92
M V30 103 1 89 90
M V30 104 2 92 93
M V30 105 1 93 91
M V30 106 1 22 94
M V30 107 2 96 94
M V30 108 2 97 95
M V30 109 1 94 98
M V30 110 1 95 96
M V30 111 2 98 99
M V30 112 1 99 97
M V30 113 1 21 100
M V30 114 2 102 100
M V30 115 2 103 101
M V30 116 1 100 104
M V30 117 1 101 102
M V30 118 2 104 105
M V30 119 1 105 103
M V30 120 1 21 106
M V30 121 2 108 106
M V30 122 2 109 107
M V30 123 1 106 110
M V30 124 1 107 108
M V30 125 2 110 111
M V30 126 1 111 109
M V30 127 2 114 112
M V30 128 2 115 113
M V30 129 1 112 116
M V30 130 1 113 114
M V30 131 2 116 117
M V30 132 1 117 115
M V30 133 1 117 118
M V30 134 2 120 118
M V30 135 2 121 119
M V30 136 1 118 122
M V30 137 1 119 120
M V30 138 2 122 123
M V30 139 1 123 121
M V30 140 1 119 124
M V30 141 1 113 125
M V30 142 2 128 126
M V30 143 2 129 127
M V30 144 1 126 130
M V30 145 1 127 128
M V30 146 2 130 131
M V30 147 1 131 129
M V30 148 1 131 132
M V30 149 2 134 132
M V30 150 2 135 133
M V30 151 1 132 136
M V30 152 1 133 134
M V30 153 2 136 137
M V30 154 1 137 135
M V30 155 1 133 138
M V30 156 1 127 139
M V30 157 2 142 140
M V30 158 2 143 141
M V30 159 1 140 144
M V30 160 1 141 142
M V30 161 2 144 145
M V30 162 1 145 143
M V30 163 1 145 146
M V30 164 2 148 146
M V30 165 2 149 147
M V30 166 1 146 150
M V30 167 1 147 148
M V30 168 2 150 151
M V30 169 1 151 149
M V30 170 1 147 152
M V30 171 1 141 153
M V30 172 10 26 150
M V30 173 10 26 144
M V30 174 10 25 122
M V30 175 10 25 116
M V30 176 10 27 130
M V30 177 10 27 136
M V30 178 1 142 154
M V30 179 1 149 155
M V30 180 1 121 156
M V30 181 1 114 157
M V30 182 1 128 158
M V30 183 1 135 159
M V30 184 1 160 161
M V30 185 1 160 162
M V30 186 1 160 163
M V30 187 1 160 164
M V30 188 1 160 165
M V30 189 1 160 166
M V30 190 1 167 168
M V30 191 1 167 169
M V30 192 1 167 170
M V30 193 1 167 171
M V30 194 1 167 172
M V30 195 1 167 173
M V30 196 1 174 175
M V30 197 1 174 176
M V30 198 1 174 177
M V30 199 1 174 178
M V30 200 1 174 179
M V30 201 1 174 180
M V30 END BOND
M V30 END CTAB
M END
