Property:Molfile
From ChemWiki
1
-INDIGO-11282314292D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 70 77 0 0 0
M V30 BEGIN ATOM
M V30 1 C 8.82458 -2.03516 0.0 0
M V30 2 C 9.15193 -2.99472 0.0 0
M V30 3 N 8.37913 -3.6265 0.0 0
M V30 4 C 7.56594 -3.043 0.0 0
M V30 5 C 7.83141 -2.06548 0.0 0
M V30 6 N 8.44637 -6.44835 0.0 0
M V30 7 C 9.23777 -7.06875 0.0 0
M V30 8 C 8.93579 -7.99833 0.0 0
M V30 9 C 7.93405 -7.99327 0.0 0
M V30 10 C 7.64317 -7.06214 0.0 0
M V30 11 C 6.33867 -4.31767 0.0 0
M V30 12 N 6.94211 -5.09119 0.0 0
M V30 13 C 6.36196 -5.86453 0.0 0
M V30 14 C 5.40724 -5.58552 0.0 0
M V30 15 C 5.40159 -4.60928 0.0 0
M V30 16 C 10.4691 -4.22399 0.0 0
M V30 17 C 11.4389 -4.48308 0.0 0
M V30 18 C 11.4729 -5.48395 0.0 0
M V30 19 C 10.5091 -5.80916 0.0 0
M V30 20 N 9.88708 -5.03599 0.0 0
M V30 21 C 6.61144 -3.35129 0.0 0
M V30 22 C 10.1427 -3.25672 0.0 0
M V30 23 C 10.2265 -6.78626 0.0 0
M V30 24 C 6.65457 -6.79167 0.0 0
M V30 25 C 5.89126 -2.65749 0.0 0
M V30 26 C 10.8257 -2.52634 0.0 0
M V30 27 C 5.96126 -7.51231 0.0 0
M V30 28 C 5.51501 -9.18408 0.0 0
M V30 29 C 6.22063 -8.47882 0.0 0
M V30 30 C 4.548 -8.92566 0.0 0
M V30 31 C 4.99038 -7.25286 0.0 0
M V30 32 C 4.2878 -7.96457 0.0 0
M V30 33 C 4.2195 -2.21125 0.0 0
M V30 34 C 4.92475 -2.91686 0.0 0
M V30 35 C 4.47791 -1.24424 0.0 0
M V30 36 C 6.15071 -1.68661 0.0 0
M V30 37 C 5.439 -0.984039 0.0 0
M V30 38 C 11.272 -0.854574 0.0 0
M V30 39 C 10.5664 -1.55983 0.0 0
M V30 40 C 12.239 -1.11299 0.0 0
M V30 41 C 11.7966 -2.78579 0.0 0
M V30 42 C 12.4992 -2.07408 0.0 0
M V30 43 N 3.76965 -0.538284 0.0 0 CHG=1
M V30 44 N 12.9449 -0.404729 0.0 0 CHG=1
M V30 45 C 10.9325 -7.49452 0.0 0
M V30 46 C 12.6043 -7.94076 0.0 0
M V30 47 C 11.899 -7.23514 0.0 0
M V30 48 C 12.3458 -8.90777 0.0 0
M V30 49 C 10.673 -8.46539 0.0 0
M V30 50 C 11.3848 -9.16797 0.0 0
M V30 51 N 3.84205 -9.63392 0.0 0 CHG=1
M V30 52 N 13.0541 -9.61372 0.0 0 CHG=1
M V30 53 C 4.26965 0.327741 0.0 0
M V30 54 C 2.90363 -1.03828 0.0 0
M V30 55 C 3.06254 0.168823 0.0 0
M V30 56 C 12.4449 0.461297 0.0 0
M V30 57 C 13.811 -0.904729 0.0 0
M V30 58 C 13.652 0.302378 0.0 0
M V30 59 C 12.5541 -10.4797 0.0 0
M V30 60 C 13.9201 -9.11372 0.0 0
M V30 61 C 13.7612 -10.3208 0.0 0
M V30 62 C 2.97602 -9.13392 0.0 0
M V30 63 C 4.34205 -10.4999 0.0 0
M V30 64 C 3.13494 -10.341 0.0 0
M V30 65 Fe 8.425 -5.075 0.0 0 CHG=3
M V30 66 Cl 9.33211 -3.94289 0.0 0 CHG=-1
M V30 67 Cl 13.95 -7.55 0.0 0 CHG=-1
M V30 68 Cl 2.875 -7.65 0.0 0 CHG=-1
M V30 69 Cl 2.975 -2.325 0.0 0 CHG=-1
M V30 70 Cl 13.8 -2.275 0.0 0 CHG=-1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 2 1 2
M V30 2 1 2 3
M V30 3 1 3 4
M V30 4 2 4 5
M V30 5 1 5 1
M V30 6 1 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 2 11 21
M V30 22 1 21 4
M V30 23 1 2 22
M V30 24 2 22 16
M V30 25 1 19 23
M V30 26 2 23 7
M V30 27 2 10 24
M V30 28 1 24 13
M V30 29 1 21 25
M V30 30 1 22 26
M V30 31 1 24 27
M V30 32 2 29 27
M V30 33 2 30 28
M V30 34 1 27 31
M V30 35 1 28 29
M V30 36 2 31 32
M V30 37 1 32 30
M V30 38 2 34 25
M V30 39 2 35 33
M V30 40 1 25 36
M V30 41 1 33 34
M V30 42 2 36 37
M V30 43 1 37 35
M V30 44 2 39 26
M V30 45 2 40 38
M V30 46 1 26 41
M V30 47 1 38 39
M V30 48 2 41 42
M V30 49 1 42 40
M V30 50 1 35 43
M V30 51 1 40 44
M V30 52 1 23 45
M V30 53 2 47 45
M V30 54 2 48 46
M V30 55 1 45 49
M V30 56 1 46 47
M V30 57 2 49 50
M V30 58 1 50 48
M V30 59 1 30 51
M V30 60 1 48 52
M V30 61 1 43 53
M V30 62 1 43 54
M V30 63 1 43 55
M V30 64 1 44 56
M V30 65 1 44 57
M V30 66 1 44 58
M V30 67 1 52 59
M V30 68 1 52 60
M V30 69 1 52 61
M V30 70 1 51 62
M V30 71 1 51 63
M V30 72 1 51 64
M V30 73 10 12 65
M V30 74 10 65 20
M V30 75 8 3 65
M V30 76 8 65 6
M V30 77 8 65 66
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282314472D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 36 38 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.95985 -3.47507 0.0 0
M V30 2 C 8.69015 -3.47459 0.0 0
M V30 3 C 7.82664 -2.97497 0.0 0
M V30 4 C 8.69015 -4.47553 0.0 0
M V30 5 C 6.95985 -4.48002 0.0 0
M V30 6 N 7.82882 -4.97503 0.0 0
M V30 7 N 6.02651 -5.12971 0.0 0
M V30 8 C 6.18292 -6.11739 0.0 0
M V30 9 N 5.29191 -6.57142 0.0 0
M V30 10 C 4.58481 -5.86432 0.0 0
M V30 11 C 5.03884 -4.9733 0.0 0
M V30 12 N 9.62349 -5.15472 0.0 0
M V30 13 C 10.6112 -4.9983 0.0 0
M V30 14 C 11.0652 -5.88932 0.0 0
M V30 15 N 10.3581 -6.59642 0.0 0
M V30 16 C 9.46708 -6.14239 0.0 0
M V30 17 C 5.13549 -7.55911 0.0 0
M V30 18 C 10.5145 -7.58411 0.0 0
M V30 19 Ni 7.85 -6.225 0.0 0 CHG=2
M V30 20 N 7.85 -7.75 0.0 0
M V30 21 C 7.85 -8.75 0.0 0
M V30 22 C 7.85 -9.75 0.0 0
M V30 23 F 12.092 -4.675 0.0 0
M V30 24 P 12.958 -4.175 0.0 0 CHG=-1
M V30 25 F 13.824 -4.675 0.0 0
M V30 26 F 12.958 -3.175 0.0 0
M V30 27 F 12.092 -3.675 0.0 0
M V30 28 F 13.824 -3.675 0.0 0
M V30 29 F 12.958 -5.175 0.0 0
M V30 30 F 12.359 -8.075 0.0 0
M V30 31 P 13.225 -7.575 0.0 0 CHG=-1
M V30 32 F 14.091 -8.075 0.0 0
M V30 33 F 13.225 -6.575 0.0 0
M V30 34 F 12.359 -7.075 0.0 0
M V30 35 F 14.091 -7.075 0.0 0
M V30 36 F 13.225 -8.575 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 7 5
M V30 18 1 12 4
M V30 19 1 9 17
M V30 20 1 15 18
M V30 21 10 6 19
M V30 22 10 8 19
M V30 23 10 16 19
M V30 24 10 19 20
M V30 25 3 20 21
M V30 26 1 21 22
M V30 27 1 23 24
M V30 28 1 24 25
M V30 29 1 24 26
M V30 30 1 24 27
M V30 31 1 24 28
M V30 32 1 24 29
M V30 33 1 30 31
M V30 34 1 31 32
M V30 35 1 31 33
M V30 36 1 31 34
M V30 37 1 31 35
M V30 38 1 31 36
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282314582D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 136 156 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.88485 -2.97507 0.0 0
M V30 2 C 5.61515 -2.97459 0.0 0
M V30 3 C 4.75164 -2.47497 0.0 0
M V30 4 N 5.61515 -3.97553 0.0 0
M V30 5 C 3.88485 -3.98002 0.0 0
M V30 6 C 4.75382 -4.47503 0.0 0
M V30 7 C 4.75895 -5.47202 0.0 0
M V30 8 C 3.89572 -5.97743 0.0 0
M V30 9 C 3.01817 -4.48745 0.0 0
M V30 10 C 3.03003 -5.48682 0.0 0
M V30 11 N 5.62527 -5.96593 0.0 0
M V30 12 C 5.63165 -6.96644 0.0 0
M V30 13 C 3.90212 -6.98194 0.0 0
M V30 14 C 4.77387 -7.47121 0.0 0
M V30 15 C 13.5598 -4.82507 0.0 0
M V30 16 C 15.2902 -4.82459 0.0 0
M V30 17 C 14.4266 -4.32497 0.0 0
M V30 18 C 15.2902 -5.82553 0.0 0
M V30 19 N 13.5598 -5.83002 0.0 0
M V30 20 C 14.4288 -6.32503 0.0 0
M V30 21 C 16.1504 -6.32074 0.0 0
M V30 22 C 16.1526 -7.31665 0.0 0
M V30 23 C 14.431 -7.32493 0.0 0
M V30 24 C 15.2967 -7.81554 0.0 0
M V30 25 C 15.304 -8.8075 0.0 0
M V30 26 C 14.4462 -9.31227 0.0 0
M V30 27 N 13.5698 -7.83171 0.0 0
M V30 28 C 13.5838 -8.82603 0.0 0
M V30 29 C 3.04076 -7.48994 0.0 0
M V30 30 C 16.1739 -9.30071 0.0 0
M V30 31 C 16.1564 -4.32499 0.0 0
M V30 32 C 2.17704 -8.98925 0.0 0
M V30 33 C 3.04115 -8.49065 0.0 0
M V30 34 C 1.30986 -8.48936 0.0 0
M V30 35 C 2.17012 -6.98805 0.0 0
M V30 36 C 1.30728 -7.49367 0.0 0
M V30 37 C 17.9042 -9.29906 0.0 0
M V30 38 C 17.0404 -8.80002 0.0 0
M V30 39 C 17.9049 -10.3 0.0 0
M V30 40 C 16.1746 -10.3057 0.0 0
M V30 41 C 17.0439 -10.8001 0.0 0
M V30 42 C 17.0201 -2.82569 0.0 0
M V30 43 C 16.156 -3.32428 0.0 0
M V30 44 C 17.8873 -3.32558 0.0 0
M V30 45 C 17.0271 -4.82688 0.0 0
M V30 46 C 17.8899 -4.32126 0.0 0
M V30 47 C 3.01882 -2.47507 0.0 0
M V30 48 C 1.28852 -2.47672 0.0 0
M V30 49 C 2.15237 -2.97576 0.0 0
M V30 50 C 1.28785 -1.47578 0.0 0
M V30 51 C 3.01815 -1.47013 0.0 0
M V30 52 C 2.14885 -0.975699 0.0 0
M V30 53 Cu 7.35 -5.075 0.0 0 CHG=1
M V30 54 Cu 12.175 -6.8 0.0 0 CHG=1
M V30 55 P 10.925 -7.925 0.0 0
M V30 56 P 8.925 -6.875 0.0 0
M V30 57 P 8.3 -3.175 0.0 0
M V30 58 C 12.7429 -8.45985 0.0 0
M V30 59 C 12.6841 -9.4508 0.0 0
M V30 60 C 11.902 -8.86867 0.0 0
M V30 61 C 11.4111 -9.37749 0.0 0
M V30 62 C 6.59757 -6.70762 0.0 0
M V30 63 C 6.85639 -7.67355 0.0 0
M V30 64 C 7.35639 -6.80752 0.0 0
M V30 65 C 8.22242 -7.30752 0.0 0
M V30 66 C 6.32226 -2.26748 0.0 0
M V30 67 C 6.58108 -3.23341 0.0 0
M V30 68 C 7.28818 -2.5263 0.0 0
M V30 69 C 7.78818 -3.39233 0.0 0
M V30 70 P 11.1 -4.55 0.0 0
M V30 71 C 13.301 -3.85915 0.0 0
M V30 72 C 12.5939 -4.56626 0.0 0
M V30 73 C 12.3351 -3.60033 0.0 0
M V30 74 C 11.9351 -4.62533 0.0 0
M V30 75 C 6.56618 -0.859074 0.0 0
M V30 76 C 8.54818 -0.676982 0.0 0
M V30 77 C 11.0504 -2.3253 0.0 0
M V30 78 C 12.9496 -1.9497 0.0 0
M V30 79 C 11.2162 -10.7659 0.0 0
M V30 80 C 9.98397 -9.55 0.0 0
M V30 81 C 6.575 -8.99102 0.0 0
M V30 82 C 7.75 -10.325 0.0 0
M V30 83 C 6.12875 -10.6628 0.0 0
M V30 84 C 6.83437 -9.95754 0.0 0
M V30 85 C 5.16174 -10.4044 0.0 0
M V30 86 C 5.60412 -8.73158 0.0 0
M V30 87 C 4.90155 -9.44329 0.0 0
M V30 88 C 8.19942 -11.9959 0.0 0
M V30 89 C 8.45788 -11.0323 0.0 0
M V30 90 C 7.23276 -12.2556 0.0 0
M V30 91 C 6.77947 -10.5857 0.0 0
M V30 92 C 6.52688 -11.5534 0.0 0
M V30 93 C 9.98562 -11.2803 0.0 0
M V30 94 C 10.4847 -10.4165 0.0 0
M V30 95 C 8.98468 -11.281 0.0 0
M V30 96 C 8.97903 -9.55067 0.0 0
M V30 97 C 8.4846 -10.42 0.0 0
M V30 98 C 12.4409 -11.9883 0.0 0
M V30 99 C 12.1829 -11.0246 0.0 0
M V30 100 C 11.7336 -12.6965 0.0 0
M V30 101 C 10.5061 -11.477 0.0 0
M V30 102 C 10.7711 -12.4413 0.0 0
M V30 103 C 12.9479 -0.219397 0.0 0
M V30 104 C 12.4489 -1.08325 0.0 0
M V30 105 C 13.9489 -0.218726 0.0 0
M V30 106 C 13.9545 -1.94902 0.0 0
M V30 107 C 14.4489 -1.07972 0.0 0
M V30 108 C 10.1839 -0.82764 0.0 0
M V30 109 C 10.1836 -1.82528 0.0 0
M V30 110 C 11.0504 -0.326587 0.0 0
M V30 111 C 11.9204 -1.82225 0.0 0
M V30 112 C 11.9139 -0.822192 0.0 0
M V30 113 C 5.06687 0.00465143 0.0 0
M V30 114 C 5.56547 -0.859457 0.0 0
M V30 115 C 5.56676 0.871829 0.0 0
M V30 116 C 7.06807 0.011571 0.0 0
M V30 117 C 6.56245 0.874412 0.0 0
M V30 118 C 7.6816 0.82068 0.0 0
M V30 119 C 7.68134 -0.176956 0.0 0
M V30 120 C 8.54811 1.32173 0.0 0
M V30 121 C 9.41815 -0.173926 0.0 0
M V30 122 C 9.41169 0.826128 0.0 0
M V30 123 F 18.1295 -1.33125 0.0 0
M V30 124 P 18.9955 -0.83125 0.0 0 CHG=-1
M V30 125 F 19.8615 -1.33125 0.0 0
M V30 126 F 18.9955 0.16875 0.0 0
M V30 127 F 19.8615 -0.33125 0.0 0
M V30 128 F 18.9955 -1.83125 0.0 0
M V30 129 F 18.1295 -0.33125 0.0 0
M V30 130 F 19.134 -4.3625 0.0 0
M V30 131 P 20.0 -3.8625 0.0 0 CHG=-1
M V30 132 F 20.866 -4.3625 0.0 0
M V30 133 F 20.0 -2.8625 0.0 0
M V30 134 F 20.866 -3.3625 0.0 0
M V30 135 F 20.0 -4.8625 0.0 0
M V30 136 F 19.134 -3.3625 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 12 11
M V30 13 1 8 13
M V30 14 1 11 7
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 17 15
M V30 18 1 18 16
M V30 19 2 15 19
M V30 20 2 16 17
M V30 21 1 19 20
M V30 22 2 20 18
M V30 23 2 22 21
M V30 24 1 20 23
M V30 25 1 21 18
M V30 26 2 23 24
M V30 27 1 24 22
M V30 28 2 26 25
M V30 29 1 23 27
M V30 30 1 25 24
M V30 31 2 27 28
M V30 32 1 28 26
M V30 33 1 13 29
M V30 34 1 25 30
M V30 35 1 16 31
M V30 36 2 33 29
M V30 37 2 34 32
M V30 38 1 29 35
M V30 39 1 32 33
M V30 40 2 35 36
M V30 41 1 36 34
M V30 42 2 38 30
M V30 43 2 39 37
M V30 44 1 30 40
M V30 45 1 37 38
M V30 46 2 40 41
M V30 47 1 41 39
M V30 48 2 43 31
M V30 49 2 44 42
M V30 50 1 31 45
M V30 51 1 42 43
M V30 52 2 45 46
M V30 53 1 46 44
M V30 54 1 1 47
M V30 55 2 49 47
M V30 56 2 50 48
M V30 57 1 47 51
M V30 58 1 48 49
M V30 59 2 51 52
M V30 60 1 52 50
M V30 61 1 28 58
M V30 62 1 58 59
M V30 63 1 59 60
M V30 64 1 60 61
M V30 65 1 61 55
M V30 66 1 12 62
M V30 67 1 62 63
M V30 68 1 63 64
M V30 69 1 64 65
M V30 70 1 65 56
M V30 71 1 2 66
M V30 72 1 66 67
M V30 73 1 67 68
M V30 74 1 68 69
M V30 75 1 69 57
M V30 76 1 15 71
M V30 77 1 71 72
M V30 78 1 72 73
M V30 79 1 73 74
M V30 80 1 74 70
M V30 81 10 4 53
M V30 82 10 11 53
M V30 83 10 57 53
M V30 84 10 56 54
M V30 85 10 70 53
M V30 86 10 55 54
M V30 87 10 27 54
M V30 88 10 19 54
M V30 89 1 57 75
M V30 90 1 70 77
M V30 91 1 70 78
M V30 92 1 55 79
M V30 93 1 55 80
M V30 94 1 56 81
M V30 95 1 56 82
M V30 96 2 84 81
M V30 97 2 85 83
M V30 98 1 81 86
M V30 99 1 83 84
M V30 100 2 86 87
M V30 101 1 87 85
M V30 102 2 89 82
M V30 103 2 90 88
M V30 104 1 82 91
M V30 105 1 88 89
M V30 106 2 91 92
M V30 107 1 92 90
M V30 108 2 94 80
M V30 109 2 95 93
M V30 110 1 80 96
M V30 111 1 93 94
M V30 112 2 96 97
M V30 113 1 97 95
M V30 114 2 99 79
M V30 115 2 100 98
M V30 116 1 79 101
M V30 117 1 98 99
M V30 118 2 101 102
M V30 119 1 102 100
M V30 120 2 104 78
M V30 121 2 105 103
M V30 122 1 78 106
M V30 123 1 103 104
M V30 124 2 106 107
M V30 125 1 107 105
M V30 126 2 109 77
M V30 127 2 110 108
M V30 128 1 77 111
M V30 129 1 108 109
M V30 130 2 111 112
M V30 131 1 112 110
M V30 132 2 114 75
M V30 133 2 115 113
M V30 134 1 75 116
M V30 135 1 113 114
M V30 136 2 116 117
M V30 137 1 117 115
M V30 138 2 119 76
M V30 139 2 120 118
M V30 140 1 76 121
M V30 141 1 118 119
M V30 142 2 121 122
M V30 143 1 122 120
M V30 144 1 76 57
M V30 145 1 123 124
M V30 146 1 124 125
M V30 147 1 124 126
M V30 148 1 124 127
M V30 149 1 124 128
M V30 150 1 124 129
M V30 151 1 130 131
M V30 152 1 131 132
M V30 153 1 131 133
M V30 154 1 131 134
M V30 155 1 131 135
M V30 156 1 131 136
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282315202D
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 5.64015 -6.64993 0.0 0
M V30 2 C 3.90985 -6.65041 0.0 0
M V30 3 C 4.77336 -7.15003 0.0 0
M V30 4 C 3.90985 -5.64947 0.0 0
M V30 5 N 5.64015 -5.64498 0.0 0
M V30 6 C 4.77118 -5.14997 0.0 0
M V30 7 C 3.88485 -2.67507 0.0 0
M V30 8 C 5.61515 -2.67459 0.0 0
M V30 9 C 4.75164 -2.17497 0.0 0
M V30 10 N 5.61515 -3.67553 0.0 0
M V30 11 C 3.88485 -3.68002 0.0 0
M V30 12 C 4.75382 -4.17503 0.0 0
M V30 13 C 6.48118 -2.17459 0.0 0
M V30 14 N 7.3472 -2.67459 0.0 0
M V30 15 C 6.50618 -7.14993 0.0 0
M V30 16 N 7.3722 -6.64993 0.0 0
M V30 17 C 7.47675 -5.65542 0.0 0
M V30 18 N 8.45492 -5.44748 0.0 0
M V30 19 C 8.95491 -6.31349 0.0 0
M V30 20 C 8.28574 -7.05663 0.0 0
M V30 21 C 8.26074 -2.26788 0.0 0
M V30 22 C 8.92991 -3.01102 0.0 0
M V30 23 N 8.42991 -3.87704 0.0 0
M V30 24 C 7.45175 -3.66909 0.0 0
M V30 25 C 9.06164 -4.21559 0.0 0
M V30 26 C 9.03664 -5.08393 0.0 0
M V30 27 Ni 6.525 -4.65 0.0 0 CHG=2
M V30 28 F 10.6948 -3.25 0.0 0
M V30 29 P 11.5608 -2.75 0.0 0 CHG=-1
M V30 30 F 12.4268 -3.25 0.0 0
M V30 31 F 11.5608 -1.75 0.0 0
M V30 32 F 10.6948 -2.25 0.0 0
M V30 33 F 12.4268 -2.25 0.0 0
M V30 34 F 11.5608 -3.75 0.0 0
M V30 35 F 10.6895 -6.83333 0.0 0
M V30 36 P 11.5556 -6.33333 0.0 0 CHG=-1
M V30 37 F 12.4216 -6.83333 0.0 0
M V30 38 F 11.5556 -5.33333 0.0 0
M V30 39 F 10.6895 -5.83333 0.0 0
M V30 40 F 12.4216 -5.83333 0.0 0
M V30 41 F 11.5556 -7.33333 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 1 12 6
M V30 14 1 8 13
M V30 15 1 13 14
M V30 16 1 1 15
M V30 17 1 15 16
M V30 18 1 16 17
M V30 19 1 17 18
M V30 20 1 18 19
M V30 21 2 19 20
M V30 22 1 20 16
M V30 23 1 14 21
M V30 24 2 21 22
M V30 25 1 22 23
M V30 26 1 23 24
M V30 27 1 24 14
M V30 28 1 23 25
M V30 29 1 18 26
M V30 30 10 5 27
M V30 31 10 17 27
M V30 32 10 24 27
M V30 33 10 10 27
M V30 34 1 28 29
M V30 35 1 29 30
M V30 36 1 29 31
M V30 37 1 29 32
M V30 38 1 29 33
M V30 39 1 29 34
M V30 40 1 35 36
M V30 41 1 36 37
M V30 42 1 36 38
M V30 43 1 36 39
M V30 44 1 36 40
M V30 45 1 36 41
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-11282315202D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 41 46 0 0 0
M V30 BEGIN ATOM
M V30 1 C 3.85985 -2.82507 0.0 0
M V30 2 C 5.59015 -2.82459 0.0 0
M V30 3 C 4.72664 -2.32497 0.0 0
M V30 4 N 5.59015 -3.82553 0.0 0
M V30 5 C 3.85985 -3.83002 0.0 0
M V30 6 C 4.72882 -4.32503 0.0 0
M V30 7 C 3.90985 -5.97507 0.0 0
M V30 8 N 5.64015 -5.97459 0.0 0
M V30 9 C 4.77664 -5.47497 0.0 0
M V30 10 C 5.64015 -6.97553 0.0 0
M V30 11 C 3.90985 -6.98002 0.0 0
M V30 12 C 4.77882 -7.47503 0.0 0
M V30 13 C 6.45641 -2.32499 0.0 0
M V30 14 N 7.3222 -2.8254 0.0 0
M V30 15 C 6.50666 -7.4747 0.0 0
M V30 16 N 7.3722 -6.97387 0.0 0
M V30 17 C 7.47675 -5.97936 0.0 0
M V30 18 N 8.45491 -5.77142 0.0 0
M V30 19 C 8.95491 -6.63743 0.0 0
M V30 20 C 8.28574 -7.38058 0.0 0
M V30 21 C 8.23574 -2.41869 0.0 0
M V30 22 C 8.90491 -3.16183 0.0 0
M V30 23 N 8.40491 -4.02784 0.0 0
M V30 24 C 7.42675 -3.8199 0.0 0
M V30 25 C 8.98702 -4.48495 0.0 0
M V30 26 C 9.01202 -5.21431 0.0 0
M V30 27 Ni 6.55 -4.875 0.0 0 CHG=2
M V30 28 F 10.542 -3.975 0.0 0
M V30 29 P 11.408 -3.475 0.0 0 CHG=-1
M V30 30 F 12.274 -3.975 0.0 0
M V30 31 F 11.408 -2.475 0.0 0
M V30 32 F 10.542 -2.975 0.0 0
M V30 33 F 12.274 -2.975 0.0 0
M V30 34 F 11.408 -4.475 0.0 0
M V30 35 F 10.534 -6.975 0.0 0
M V30 36 P 11.4 -6.475 0.0 0 CHG=-1
M V30 37 F 12.266 -6.975 0.0 0
M V30 38 F 11.4 -5.475 0.0 0
M V30 39 F 10.534 -5.975 0.0 0
M V30 40 F 12.266 -5.975 0.0 0
M V30 41 F 11.4 -7.475 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 1 6 9
M V30 14 1 2 13
M V30 15 1 13 14
M V30 16 1 10 15
M V30 17 1 15 16
M V30 18 1 16 17
M V30 19 1 17 18
M V30 20 1 18 19
M V30 21 2 19 20
M V30 22 1 20 16
M V30 23 1 14 21
M V30 24 2 21 22
M V30 25 1 22 23
M V30 26 1 23 24
M V30 27 1 24 14
M V30 28 1 23 25
M V30 29 1 18 26
M V30 30 1 26 25
M V30 31 10 4 27
M V30 32 10 8 27
M V30 33 10 17 27
M V30 34 10 24 27
M V30 35 1 28 29
M V30 36 1 29 30
M V30 37 1 29 31
M V30 38 1 29 32
M V30 39 1 29 33
M V30 40 1 29 34
M V30 41 1 35 36
M V30 42 1 36 37
M V30 43 1 36 38
M V30 44 1 36 39
M V30 45 1 36 40
M V30 46 1 36 41
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-02142409402D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 40 45 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.20985 -7.22507 0.0 0
M V30 2 N 5.94015 -7.22459 0.0 0
M V30 3 C 5.07664 -6.72497 0.0 0
M V30 4 C 5.94015 -8.22553 0.0 0
M V30 5 C 4.20985 -8.23002 0.0 0
M V30 6 C 5.07882 -8.72503 0.0 0
M V30 7 C 4.15985 -4.10007 0.0 0
M V30 8 C 5.89015 -4.09959 0.0 0
M V30 9 C 5.02664 -3.59997 0.0 0
M V30 10 N 5.89015 -5.10053 0.0 0
M V30 11 C 4.15985 -5.10502 0.0 0
M V30 12 C 5.02882 -5.60003 0.0 0
M V30 13 C 6.80666 -8.7247 0.0 0
M V30 14 N 7.6722 -8.22387 0.0 0
M V30 15 C 6.75641 -3.59999 0.0 0
M V30 16 N 7.6222 -4.1004 0.0 0
M V30 17 C 7.77675 -7.22936 0.0 0
M V30 18 N 8.75491 -7.02142 0.0 0
M V30 19 C 9.25491 -7.88743 0.0 0
M V30 20 C 8.58574 -8.63058 0.0 0
M V30 21 C 8.53574 -3.69369 0.0 0
M V30 22 C 9.20491 -4.43683 0.0 0
M V30 23 N 8.70491 -5.30284 0.0 0
M V30 24 C 7.72675 -5.0949 0.0 0
M V30 25 C 9.20491 -6.16887 0.0 0
M V30 26 Ni 6.975 -6.1 0.0 0 CHG=2
M V30 27 F 10.392 -5.325 0.0 0
M V30 28 P 11.258 -4.825 0.0 0 CHG=-1
M V30 29 F 12.124 -5.325 0.0 0
M V30 30 F 11.258 -3.825 0.0 0
M V30 31 F 10.392 -4.325 0.0 0
M V30 32 F 12.124 -4.325 0.0 0
M V30 33 F 11.258 -5.825 0.0 0
M V30 34 F 10.409 -8.275 0.0 0
M V30 35 P 11.275 -7.775 0.0 0 CHG=-1
M V30 36 F 12.141 -8.275 0.0 0
M V30 37 F 11.275 -6.775 0.0 0
M V30 38 F 10.409 -7.275 0.0 0
M V30 39 F 12.141 -7.275 0.0 0
M V30 40 F 11.275 -8.775 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 1 12 3
M V30 14 1 4 13
M V30 15 1 13 14
M V30 16 1 8 15
M V30 17 1 15 16
M V30 18 1 14 17
M V30 19 1 17 18
M V30 20 1 18 19
M V30 21 2 19 20
M V30 22 1 20 14
M V30 23 1 16 21
M V30 24 2 21 22
M V30 25 1 22 23
M V30 26 1 23 24
M V30 27 1 24 16
M V30 28 1 23 25
M V30 29 1 25 18
M V30 30 10 10 26
M V30 31 10 2 26
M V30 32 10 17 26
M V30 33 10 24 26
M V30 34 1 27 28
M V30 35 1 28 29
M V30 36 1 28 30
M V30 37 1 28 31
M V30 38 1 28 32
M V30 39 1 28 33
M V30 40 1 34 35
M V30 41 1 35 36
M V30 42 1 35 37
M V30 43 1 35 38
M V30 44 1 35 39
M V30 45 1 35 40
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-10312214132D
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 C 4.51632 -5.13936 0.0 0
M V30 2 C 6.06627 -4.93467 0.0 0
M V30 3 C 5.15818 -4.66778 0.0 0
M V30 4 C 6.3022 -5.79742 0.0 0
M V30 5 C 4.56211 -5.88143 0.0 0
M V30 6 C 5.34928 -6.31274 0.0 0
M V30 7 C 6.98453 -3.34073 0.0 0
M V30 8 C 8.33934 -3.25415 0.0 0
M V30 9 C 7.68802 -2.92624 0.0 0
M V30 10 C 8.46503 -4.05655 0.0 0
M V30 11 C 6.97113 -4.26477 0.0 0
M V30 12 N 7.91082 -4.66724 0.0 0
M V30 13 C 5.97037 -8.10016 0.0 0
M V30 14 C 6.8765 -6.97005 0.0 0
M V30 15 C 6.17764 -7.36012 0.0 0
M V30 16 C 7.29425 -7.20209 0.0 0
M V30 17 C 6.58715 -8.72328 0.0 0
M V30 18 C 7.38575 -8.30707 0.0 0
M V30 19 C 7.97618 -8.6897 0.0 0
M V30 20 C 9.56853 -8.63312 0.0 0
M V30 21 N 8.73266 -8.0388 0.0 0
M V30 22 C 9.49195 -9.6368 0.0 0
M V30 23 C 8.03916 -9.63547 0.0 0
M V30 24 C 8.75049 -10.0588 0.0 0
M V30 25 N 9.63626 -6.58079 0.0 0
M V30 26 C 11.4047 -6.3059 0.0 0
M V30 27 C 10.452 -5.87897 0.0 0
M V30 28 C 11.4207 -7.15882 0.0 0
M V30 29 C 9.74784 -7.24169 0.0 0
M V30 30 C 10.6478 -7.60377 0.0 0
M V30 31 C 9.56317 -3.81633 0.0 0
M V30 32 C 11.3087 -3.89914 0.0 0
M V30 33 C 10.5397 -3.3974 0.0 0
M V30 34 C 11.2289 -4.69804 0.0 0
M V30 35 N 9.4911 -4.82936 0.0 0
M V30 36 C 10.5094 -5.23649 0.0 0
M V30 37 Ir 8.21377 -6.11105 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 2 27 25
M V30 26 2 28 26
M V30 27 1 25 29
M V30 28 1 26 27
M V30 29 2 29 30
M V30 30 1 30 28
M V30 31 2 33 31
M V30 32 2 34 32
M V30 33 1 31 35
M V30 34 1 32 33
M V30 35 2 35 36
M V30 36 1 36 34
M V30 37 1 2 11
M V30 38 1 36 27
M V30 39 1 19 18
M V30 40 10 37 12
M V30 41 10 37 4
M V30 42 10 37 16
M V30 43 10 37 21
M V30 44 10 37 25
M V30 45 10 37 35
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-12162417552D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 57 66 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.22493 -2.53485 0.0 0
M V30 2 N 5.22541 -4.26515 0.0 0
M V30 3 C 5.72503 -3.40164 0.0 0
M V30 4 C 4.22447 -4.26515 0.0 0
M V30 5 C 4.21998 -2.53485 0.0 0
M V30 6 C 3.72497 -3.40382 0.0 0
M V30 7 C 5.72455 -1.67134 0.0 0
M V30 8 C 6.72549 -1.67134 0.0 0
M V30 9 C 6.72998 -3.40164 0.0 0
M V30 10 C 7.22499 -2.53267 0.0 0
M V30 11 C 8.22198 -2.52753 0.0 0
M V30 12 C 8.72739 -3.39076 0.0 0
M V30 13 N 7.23741 -4.26832 0.0 0
M V30 14 C 8.23677 -4.25646 0.0 0
M V30 15 N 8.55696 -6.84484 0.0 0
M V30 16 C 10.0552 -5.97927 0.0 0
M V30 17 C 9.05757 -5.97834 0.0 0
M V30 18 C 10.5557 -6.84611 0.0 0
M V30 19 C 9.05943 -7.71515 0.0 0
M V30 20 C 10.0595 -7.70936 0.0 0
M V30 21 C 10.5624 -8.57021 0.0 0
M V30 22 C 10.0676 -9.43952 0.0 0
M V30 23 C 8.56258 -8.58794 0.0 0
M V30 24 C 9.07254 -9.44748 0.0 0
M V30 25 C 8.58407 -10.3159 0.0 0
M V30 26 C 7.58449 -10.3281 0.0 0
M V30 27 N 7.55899 -8.60014 0.0 0
M V30 28 C 7.0752 -9.47395 0.0 0
M V30 29 C 3.41838 -9.42435 0.0 0
M V30 30 N 4.91662 -8.55878 0.0 0
M V30 31 C 3.91899 -8.55785 0.0 0
M V30 32 C 5.41709 -9.42562 0.0 0
M V30 33 C 3.92085 -10.2947 0.0 0
M V30 34 C 4.92091 -10.2889 0.0 0
M V30 35 C 2.42074 -9.42342 0.0 0
M V30 36 C 1.92027 -8.55658 0.0 0
M V30 37 C 3.41651 -7.68754 0.0 0
M V30 38 C 2.41645 -7.69334 0.0 0
M V30 39 C 1.91352 -6.83249 0.0 0
M V30 40 C 2.40839 -5.96318 0.0 0
M V30 41 N 3.91337 -6.81476 0.0 0
M V30 42 C 3.40341 -5.95521 0.0 0
M V30 43 Ru 6.15 -6.475 0.0 0 CHG=2
M V30 44 P 13.325 -4.05 0.0 0
M V30 45 F 12.325 -4.05 0.0 0
M V30 46 F 13.825 -4.91603 0.0 0
M V30 47 F 13.875 -3.15897 0.0 0
M V30 48 F 12.825 -3.18397 0.0 0
M V30 49 F 14.325 -4.05 0.0 0
M V30 50 F 12.825 -4.91603 0.0 0
M V30 51 P 13.325 -7.2624 0.0 0
M V30 52 F 12.3328 -7.2624 0.0 0
M V30 53 F 13.8211 -8.12168 0.0 0
M V30 54 F 13.8707 -6.37832 0.0 0
M V30 55 F 12.8289 -6.40312 0.0 0
M V30 56 F 14.3172 -7.2624 0.0 0
M V30 57 F 12.8289 -8.12168 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 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 9 13
M V30 14 1 11 10
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 2 17 15
M V30 18 2 18 16
M V30 19 1 15 19
M V30 20 1 16 17
M V30 21 2 19 20
M V30 22 1 20 18
M V30 23 2 22 21
M V30 24 1 19 23
M V30 25 1 21 20
M V30 26 2 23 24
M V30 27 1 24 22
M V30 28 2 26 25
M V30 29 1 23 27
M V30 30 1 25 24
M V30 31 2 27 28
M V30 32 1 28 26
M V30 33 2 31 29
M V30 34 2 32 30
M V30 35 1 29 33
M V30 36 1 30 31
M V30 37 2 33 34
M V30 38 1 34 32
M V30 39 2 36 35
M V30 40 1 31 37
M V30 41 1 35 29
M V30 42 2 37 38
M V30 43 1 38 36
M V30 44 2 40 39
M V30 45 1 37 41
M V30 46 1 39 38
M V30 47 2 41 42
M V30 48 1 42 40
M V30 49 10 43 41
M V30 50 10 43 30
M V30 51 10 43 27
M V30 52 10 43 15
M V30 53 10 43 13
M V30 54 10 43 2
M V30 55 1 44 45
M V30 56 1 44 46
M V30 57 1 44 47
M V30 58 1 44 48
M V30 59 1 44 49
M V30 60 1 44 50
M V30 61 1 51 52
M V30 62 1 51 53
M V30 63 1 51 54
M V30 64 1 51 55
M V30 65 1 51 56
M V30 66 1 51 57
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-02152416342D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 44 47 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.62242 -3.98512 0.0 0
M V30 2 C 7.0939 -3.98472 0.0 0
M V30 3 C 6.35956 -3.55983 0.0 0
M V30 4 N 7.0939 -4.83594 0.0 0
M V30 5 C 5.62242 -4.83976 0.0 0
M V30 6 C 6.36141 -5.26073 0.0 0
M V30 7 C 7.83059 -3.55985 0.0 0
M V30 8 C 8.56572 -2.28515 0.0 0
M V30 9 C 7.83066 -2.70882 0.0 0
M V30 10 C 9.30303 -2.7106 0.0 0
M V30 11 N 8.57081 -3.98701 0.0 0
M V30 12 C 9.3048 -3.55737 0.0 0
M V30 13 C 5.64368 -6.51514 0.0 0
M V30 14 N 7.11516 -6.51473 0.0 0
M V30 15 C 6.38081 -6.08984 0.0 0
M V30 16 C 7.11516 -7.36595 0.0 0
M V30 17 C 5.64368 -7.36977 0.0 0
M V30 18 C 6.38267 -7.79074 0.0 0
M V30 19 C 7.85206 -7.79046 0.0 0
M V30 20 C 9.32359 -7.78764 0.0 0
M V30 21 N 8.5885 -7.36395 0.0 0
M V30 22 C 9.32497 -8.63887 0.0 0
M V30 23 C 7.85346 -8.64508 0.0 0
M V30 24 C 8.59314 -9.06485 0.0 0
M V30 25 Ru 8.56415 -5.60948 0.0 0 CHG=2
M V30 26 O 9.93229 -4.65054 0.0 0
M V30 27 C 9.98149 -6.32253 0.0 0 CHG=-1
M V30 28 O 10.8332 -6.8143 0.0 0 CHG=1
M V30 29 H 10.8388 -5.07273 0.0 0
M V30 30 H 9.84466 -3.65439 0.0 0
M V30 31 F 11.5741 -4.15053 0.0 0
M V30 32 P 12.4258 -3.65877 0.0 0 CHG=-1
M V30 33 F 13.2776 -4.15053 0.0 0
M V30 34 F 12.4258 -2.67524 0.0 0
M V30 35 F 11.5741 -3.16701 0.0 0
M V30 36 F 13.2776 -3.16701 0.0 0
M V30 37 F 12.4258 -4.6423 0.0 0
M V30 38 F 12.709 -7.35 0.0 0
M V30 39 P 13.5749 -6.85 0.0 0 CHG=-1
M V30 40 F 14.441 -7.35 0.0 0
M V30 41 F 13.5749 -5.84999 0.0 0
M V30 42 F 12.709 -6.35 0.0 0
M V30 43 F 14.441 -6.35 0.0 0
M V30 44 F 13.5749 -7.85001 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 16 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 10 11 25
M V30 28 10 25 21
M V30 29 10 25 14
M V30 30 10 25 4
M V30 31 10 25 26
M V30 32 10 25 27
M V30 33 3 27 28
M V30 34 1 26 29
M V30 35 1 26 30
M V30 36 1 31 32
M V30 37 1 32 33
M V30 38 1 32 34
M V30 39 1 32 35
M V30 40 1 32 36
M V30 41 1 32 37
M V30 42 1 38 39
M V30 43 1 39 40
M V30 44 1 39 41
M V30 45 1 39 42
M V30 46 1 39 43
M V30 47 1 39 44
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-01092416132D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 35 39 0 0 0
M V30 BEGIN ATOM
M V30 1 F 8.767 -6.05 0.0 0
M V30 2 P 9.633 -5.55 0.0 0 CHG=-1
M V30 3 F 10.499 -6.05 0.0 0
M V30 4 F 9.633 -4.55 0.0 0
M V30 5 F 8.767 -5.05 0.0 0
M V30 6 F 10.499 -5.05 0.0 0
M V30 7 F 9.633 -6.55 0.0 0
M V30 8 C 3.00985 -3.67507 0.0 0
M V30 9 C 4.74015 -3.67459 0.0 0
M V30 10 C 3.87664 -3.17497 0.0 0
M V30 11 N 4.74015 -4.67553 0.0 0
M V30 12 C 3.00985 -4.68002 0.0 0
M V30 13 C 3.87882 -5.17503 0.0 0
M V30 14 C 5.60641 -3.17499 0.0 0
M V30 15 C 6.47083 -1.67609 0.0 0
M V30 16 C 5.60649 -2.17428 0.0 0
M V30 17 C 7.33778 -2.17638 0.0 0
M V30 18 N 6.47682 -3.67729 0.0 0
M V30 19 C 7.3399 -3.17207 0.0 0
M V30 20 C 3.03485 -6.65007 0.0 0
M V30 21 N 4.76515 -6.64959 0.0 0
M V30 22 C 3.90164 -6.14997 0.0 0
M V30 23 C 4.76515 -7.65053 0.0 0
M V30 24 C 3.03485 -7.65502 0.0 0
M V30 25 C 3.90382 -8.15003 0.0 0
M V30 26 C 5.63166 -8.1497 0.0 0
M V30 27 C 7.36196 -8.14639 0.0 0
M V30 28 N 6.49763 -7.64818 0.0 0
M V30 29 C 7.36359 -9.14733 0.0 0
M V30 30 C 5.6333 -9.15464 0.0 0
M V30 31 C 6.50308 -9.64824 0.0 0
M V30 32 Ru 6.48118 -5.65053 0.0 0 CHG=2
M V30 33 Cl 7.4972 -6.22553 0.0 0 CHG=-1
M V30 34 C 7.4971 -4.94171 0.0 0
M V30 35 O 8.68222 -4.23033 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 2 4
M V30 4 1 2 5
M V30 5 1 2 6
M V30 6 1 2 7
M V30 7 4 10 8
M V30 8 4 11 9
M V30 9 4 8 12
M V30 10 4 9 10
M V30 11 4 12 13
M V30 12 4 13 11
M V30 13 1 9 14
M V30 14 4 16 14
M V30 15 4 17 15
M V30 16 4 14 18
M V30 17 4 15 16
M V30 18 4 18 19
M V30 19 4 19 17
M V30 20 4 22 20
M V30 21 4 23 21
M V30 22 4 20 24
M V30 23 4 21 22
M V30 24 4 24 25
M V30 25 4 25 23
M V30 26 1 23 26
M V30 27 4 28 26
M V30 28 4 29 27
M V30 29 4 26 30
M V30 30 4 27 28
M V30 31 4 30 31
M V30 32 4 31 29
M V30 33 10 11 32
M V30 34 10 32 21
M V30 35 10 32 28
M V30 36 10 32 18
M V30 37 10 32 33
M V30 38 2 34 35
M V30 39 10 32 34
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-02262411182D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 35 39 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.57242 -3.91012 0.0 0
M V30 2 C 6.0439 -3.90972 0.0 0
M V30 3 C 5.30956 -3.48483 0.0 0
M V30 4 N 6.0439 -4.76094 0.0 0
M V30 5 C 4.57242 -4.76476 0.0 0
M V30 6 C 5.31141 -5.18573 0.0 0
M V30 7 C 6.78059 -3.48485 0.0 0
M V30 8 C 7.51572 -2.21015 0.0 0
M V30 9 C 6.78066 -2.63382 0.0 0
M V30 10 C 8.25303 -2.6356 0.0 0
M V30 11 N 7.52081 -3.91201 0.0 0
M V30 12 C 8.2548 -3.48237 0.0 0
M V30 13 C 4.59368 -6.44014 0.0 0
M V30 14 N 6.06516 -6.43973 0.0 0
M V30 15 C 5.33081 -6.01484 0.0 0
M V30 16 C 6.06516 -7.29095 0.0 0
M V30 17 C 4.59368 -7.29477 0.0 0
M V30 18 C 5.33267 -7.71574 0.0 0
M V30 19 C 6.80206 -7.71546 0.0 0
M V30 20 C 8.27359 -7.71264 0.0 0
M V30 21 N 7.5385 -7.28895 0.0 0
M V30 22 C 8.27497 -8.56387 0.0 0
M V30 23 C 6.80346 -8.57008 0.0 0
M V30 24 C 7.54314 -8.98985 0.0 0
M V30 25 Ru 7.51415 -5.53448 0.0 0 CHG=2
M V30 26 H 8.88229 -4.57554 0.0 0 CHG=-1
M V30 27 C 8.93149 -6.24753 0.0 0 CHG=-1
M V30 28 O 9.78318 -6.7393 0.0 0 CHG=1
M V30 29 F 10.5241 -4.07553 0.0 0
M V30 30 P 11.3758 -3.58377 0.0 0 CHG=-1
M V30 31 F 12.2276 -4.07553 0.0 0
M V30 32 F 11.3758 -2.60024 0.0 0
M V30 33 F 10.5241 -3.09201 0.0 0
M V30 34 F 12.2276 -3.09201 0.0 0
M V30 35 F 11.3758 -4.5673 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 16 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 10 11 25
M V30 28 10 25 21
M V30 29 10 25 14
M V30 30 10 25 4
M V30 31 10 25 26
M V30 32 10 25 27
M V30 33 3 27 28
M V30 34 1 29 30
M V30 35 1 30 31
M V30 36 1 30 32
M V30 37 1 30 33
M V30 38 1 30 34
M V30 39 1 30 35
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-02262411182D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 35 39 0 0 0
M V30 BEGIN ATOM
M V30 1 C 7.92242 -4.28512 0.0 0
M V30 2 C 9.3939 -4.28472 0.0 0
M V30 3 C 8.65956 -3.85983 0.0 0
M V30 4 N 9.3939 -5.13594 0.0 0
M V30 5 C 7.92242 -5.13976 0.0 0
M V30 6 C 8.66141 -5.56073 0.0 0
M V30 7 C 10.1306 -3.85985 0.0 0
M V30 8 C 10.8657 -2.58515 0.0 0
M V30 9 C 10.1307 -3.00882 0.0 0
M V30 10 C 11.603 -3.0106 0.0 0
M V30 11 N 10.8708 -4.28701 0.0 0
M V30 12 C 11.6048 -3.85737 0.0 0
M V30 13 C 7.94368 -6.81514 0.0 0
M V30 14 N 9.41516 -6.81473 0.0 0
M V30 15 C 8.68081 -6.38984 0.0 0
M V30 16 C 9.41516 -7.66595 0.0 0
M V30 17 C 7.94368 -7.66977 0.0 0
M V30 18 C 8.68267 -8.09074 0.0 0
M V30 19 C 10.1521 -8.09046 0.0 0
M V30 20 C 11.6236 -8.08764 0.0 0
M V30 21 N 10.8885 -7.66395 0.0 0
M V30 22 C 11.625 -8.93887 0.0 0
M V30 23 C 10.1535 -8.94508 0.0 0
M V30 24 C 10.8931 -9.36485 0.0 0
M V30 25 Ru 10.8641 -5.90948 0.0 0 CHG=2
M V30 26 Cl 12.2323 -4.95054 0.0 0 CHG=-1
M V30 27 C 12.2815 -6.62253 0.0 0 CHG=-1
M V30 28 O 13.1332 -7.1143 0.0 0 CHG=1
M V30 29 F 13.8741 -4.45053 0.0 0
M V30 30 P 14.7258 -3.95877 0.0 0 CHG=-1
M V30 31 F 15.5776 -4.45053 0.0 0
M V30 32 F 14.7258 -2.97524 0.0 0
M V30 33 F 13.8741 -3.46701 0.0 0
M V30 34 F 15.5776 -3.46701 0.0 0
M V30 35 F 14.7258 -4.9423 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 16 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 10 11 25
M V30 28 10 25 21
M V30 29 10 25 14
M V30 30 10 25 4
M V30 31 10 25 26
M V30 32 10 25 27
M V30 33 3 27 28
M V30 34 1 29 30
M V30 35 1 30 31
M V30 36 1 30 32
M V30 37 1 30 33
M V30 38 1 30 34
M V30 39 1 30 35
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-02262413152D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 54 59 0 0 0
M V30 BEGIN ATOM
M V30 1 P 12.4162 0.70756 0.0 0 CHG=-1
M V30 2 F 12.4162 1.62335 0.0 0
M V30 3 F 11.6835 1.18014 0.0 0
M V30 4 F 11.6835 0.180978 0.0 0
M V30 5 F 12.4162 -0.208234 0.0 0
M V30 6 F 13.2092 1.16546 0.0 0
M V30 7 F 13.2092 0.249663 0.0 0
M V30 8 P 13.164 -1.62771 0.0 0 CHG=-1
M V30 9 F 13.164 -0.702232 0.0 0
M V30 10 F 12.4237 -1.15015 0.0 0
M V30 11 F 12.4237 -2.15986 0.0 0
M V30 12 F 13.164 -2.5532 0.0 0
M V30 13 F 13.9655 -1.16497 0.0 0
M V30 14 F 13.9655 -2.09046 0.0 0
M V30 15 C 5.98316 -4.83318 0.0 0
M V30 16 N 7.35524 -4.04049 0.0 0
M V30 17 C 6.44161 -4.03964 0.0 0
M V30 18 C 7.81357 -4.83434 0.0 0
M V30 19 C 6.44332 -5.6302 0.0 0
M V30 20 C 7.35917 -5.6249 0.0 0
M V30 21 N 9.18917 -4.08583 0.0 0
M V30 22 C 10.5617 -4.87775 0.0 0
M V30 23 C 10.1056 -4.0861 0.0 0
M V30 24 C 10.1034 -5.6716 0.0 0
M V30 25 C 8.729 -4.88286 0.0 0
M V30 26 C 9.19152 -5.67335 0.0 0
M V30 27 C 7.52569 0.501442 0.0 0
M V30 28 C 9.11029 0.501882 0.0 0
M V30 29 C 8.31949 0.959431 0.0 0
M V30 30 C 9.11029 -0.414773 0.0 0
M V30 31 C 7.52569 -0.418885 0.0 0
M V30 32 N 8.32149 -0.872212 0.0 0
M V30 33 N 6.73393 -0.879081 0.0 0
M V30 34 N 9.90384 -0.87191 0.0 0
M V30 35 C 6.63818 -1.78984 0.0 0
M V30 36 N 5.74238 -1.98027 0.0 0
M V30 37 C 5.28449 -1.18718 0.0 0
M V30 38 C 5.89731 -0.506618 0.0 0
M V30 39 C 10.7405 -0.499447 0.0 0
M V30 40 C 11.3533 -1.18001 0.0 0
M V30 41 N 10.8954 -1.97311 0.0 0
M V30 42 C 9.99958 -1.78267 0.0 0
M V30 43 Ru 8.24931 -2.65798 0.0 0 CHG=2
M V30 44 N 5.10838 -4.8168 0.0 0
M V30 45 C 4.24236 -5.3168 0.0 0
M V30 46 C 3.37633 -5.8168 0.0 0
M V30 47 C 5.33565 -2.89382 0.0 0
M V30 48 C 4.34113 -2.99836 0.0 0
M V30 49 C 5.92344 -3.70283 0.0 0
M V30 50 C 4.83565 -3.75984 0.0 0
M V30 51 C 11.3021 -2.88666 0.0 0
M V30 52 C 10.7143 -3.69567 0.0 0
M V30 53 C 12.2966 -2.9912 0.0 0
M V30 54 C 11.8021 -3.75268 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 1 4
M V30 4 1 1 5
M V30 5 1 1 6
M V30 6 1 1 7
M V30 7 1 8 9
M V30 8 1 8 10
M V30 9 1 8 11
M V30 10 1 8 12
M V30 11 1 8 13
M V30 12 1 8 14
M V30 13 2 17 15
M V30 14 2 18 16
M V30 15 1 15 19
M V30 16 1 16 17
M V30 17 2 19 20
M V30 18 1 20 18
M V30 19 2 23 21
M V30 20 2 24 22
M V30 21 1 21 25
M V30 22 1 22 23
M V30 23 2 25 26
M V30 24 1 26 24
M V30 25 2 29 27
M V30 26 2 30 28
M V30 27 1 27 31
M V30 28 1 28 29
M V30 29 2 31 32
M V30 30 1 32 30
M V30 31 1 31 33
M V30 32 1 30 34
M V30 33 1 33 35
M V30 34 1 35 36
M V30 35 1 36 37
M V30 36 2 37 38
M V30 37 1 38 33
M V30 38 1 34 39
M V30 39 2 39 40
M V30 40 1 40 41
M V30 41 1 41 42
M V30 42 1 42 34
M V30 43 1 18 25
M V30 44 10 35 43
M V30 45 10 32 43
M V30 46 10 42 43
M V30 47 10 21 43
M V30 48 10 16 43
M V30 49 10 43 44
M V30 50 3 44 45
M V30 51 1 45 46
M V30 52 1 36 47
M V30 53 1 47 48
M V30 54 1 47 49
M V30 55 1 47 50
M V30 56 1 41 51
M V30 57 1 51 52
M V30 58 1 51 53
M V30 59 1 51 54
M V30 END BOND
M V30 END CTAB
M END
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 24 26 0 0 0
M V30 BEGIN ATOM
M V30 1 C 4.75985 -3.47507 0 0
M V30 2 C 6.49015 -3.47459 0 0
M V30 3 C 5.62664 -2.97497 0 0
M V30 4 N 6.49015 -4.47553 0 0
M V30 5 C 4.75985 -4.48002 0 0
M V30 6 C 5.62882 -4.97503 0 0
M V30 7 C 4.75985 -6.42507 0 0
M V30 8 N 6.49015 -6.42459 0 0
M V30 9 C 5.62664 -5.92497 0 0
M V30 10 C 6.49015 -7.42553 0 0
M V30 11 C 4.75985 -7.43002 0 0
M V30 12 C 5.62882 -7.92503 0 0
M V30 13 Mn 7.55 -5.475 0 0 CHG=1
M V30 14 C 8.41603 -4.975 0 0 CHG=-1
M V30 15 C 8.41603 -5.975 0 0 CHG=-1
M V30 16 C 7.55 -6.475 0 0 CHG=-1
M V30 17 O 7.55 -7.475 0 0 CHG=1
M V30 18 O 9.28205 -6.475 0 0 CHG=1
M V30 19 O 9.28205 -4.475 0 0 CHG=1
M V30 20 Br 7.525 -3.3 0 0 CHG=-1
M V30 21 O 3.89382 -2.97507 0 0
M V30 22 C 3.89382 -1.47507 0 0
M V30 23 O 3.89382 -7.93002 0 0
M V30 24 C 2.59478 -7.18002 0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 4 3 1
M V30 2 4 4 2
M V30 3 4 1 5
M V30 4 4 2 3
M V30 5 4 5 6
M V30 6 4 6 4
M V30 7 4 9 7
M V30 8 4 10 8
M V30 9 4 7 11
M V30 10 4 8 9
M V30 11 4 11 12
M V30 12 4 12 10
M V30 13 1 6 9
M V30 14 10 4 13
M V30 15 10 8 13
M V30 16 10 13 14
M V30 17 10 13 15
M V30 18 10 13 16
M V30 19 3 16 17
M V30 20 3 15 18
M V30 21 3 14 19
M V30 22 10 13 20
M V30 23 1 21 22
M V30 24 1 1 21
M V30 25 1 23 24
M V30 26 1 11 23
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01112411252D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 64 72 0 0 0
M V30 BEGIN ATOM
M V30 1 C 2.55001 -5.94999 0.0 0
M V30 2 C 3.05001 -6.81603 0.0 0
M V30 3 C 4.05001 -6.81604 0.0 0
M V30 4 O 4.54999 -5.95001 0.0 0
M V30 5 C 4.04999 -5.08397 0.0 0
M V30 6 C 3.04999 -5.08396 0.0 0
M V30 7 C 2.5521 -4.22028 0.0 0
M V30 8 C 3.05197 -3.35393 0.0 0
M V30 9 C 4.55186 -4.21416 0.0 0
M V30 10 C 4.04694 -3.35174 0.0 0
M V30 11 C 4.5479 -7.67972 0.0 0
M V30 12 C 4.04803 -8.54607 0.0 0
M V30 13 C 2.54814 -7.68584 0.0 0
M V30 14 C 3.05306 -8.54826 0.0 0
M V30 15 C 1.68398 -5.44999 0.0 0
M V30 16 C 1.68398 -6.44999 0.0 0
M V30 17 C 5.55185 -4.21098 0.0 0
M V30 18 C 5.5479 -7.67991 0.0 0
M V30 19 C 2.5509 -2.48852 0.0 0
M V30 20 C 3.04983 -1.62188 0.0 0
M V30 21 C 1.5509 -2.48976 0.0 0
M V30 22 C 2.0509 -1.62249 0.0 0
M V30 23 C 2.55665 -9.41635 0.0 0
M V30 24 C 1.55665 -9.42048 0.0 0
M V30 25 C 3.06022 -10.2803 0.0 0
M V30 26 C 2.05665 -10.2824 0.0 0
M V30 27 N 7.04951 -3.34441 0.0 0
M V30 28 C 6.05188 -3.34415 0.0 0
M V30 29 C 7.55057 -4.21092 0.0 0
M V30 30 C 6.05491 -5.08096 0.0 0
M V30 31 C 7.05496 -5.07449 0.0 0
M V30 32 C 8.55056 -4.20928 0.0 0
M V30 33 C 10.0468 -3.34026 0.0 0
M V30 34 N 9.04917 -3.34163 0.0 0
M V30 35 C 10.5493 -4.20595 0.0 0
M V30 36 C 9.05504 -5.07843 0.0 0
M V30 37 C 10.0551 -5.07034 0.0 0
M V30 38 C 7.04556 -6.81333 0.0 0
M V30 39 C 6.04792 -6.81307 0.0 0
M V30 40 C 7.54661 -7.67984 0.0 0
M V30 41 C 6.05096 -8.54988 0.0 0
M V30 42 N 7.05101 -8.54342 0.0 0
M V30 43 C 8.54661 -7.67821 0.0 0
M V30 44 C 10.0429 -6.80919 0.0 0
M V30 45 C 9.04522 -6.81056 0.0 0
M V30 46 C 10.5453 -7.67488 0.0 0
M V30 47 N 9.05109 -8.54736 0.0 0
M V30 48 C 10.0511 -8.53926 0.0 0
M V30 49 Re 8.00662 -2.4123 0.0 0 CHG=1
M V30 50 Re 8.02601 -9.43444 0.0 0 CHG=1
M V30 51 Cl 6.48162 -2.4373 0.0 0 CHG=-1
M V30 52 C 9.40662 -2.3873 0.0 0 CHG=-1
M V30 53 C 6.97451 -1.3802 0.0 0 CHG=-1
M V30 54 C 9.06373 -1.3552 0.0 0 CHG=-1
M V30 55 C 9.72601 -9.43444 0.0 0 CHG=-1
M V30 56 Cl 6.55101 -9.45944 0.0 0 CHG=-1
M V30 57 C 6.8939 -10.6666 0.0 0 CHG=-1
M V30 58 C 9.03312 -10.5666 0.0 0 CHG=-1
M V30 59 O 6.26741 -0.673089 0.0 0 CHG=1
M V30 60 O 9.77083 -0.648089 0.0 0 CHG=1
M V30 61 O 10.4066 -2.3873 0.0 0 CHG=1
M V30 62 O 6.1868 -11.3737 0.0 0 CHG=1
M V30 63 O 9.74022 -11.2737 0.0 0 CHG=1
M V30 64 O 10.726 -9.43444 0.0 0 CHG=1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 6
M V30 2 1 1 2
M V30 3 2 2 3
M V30 4 1 3 4
M V30 5 1 4 5
M V30 6 2 5 6
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 12 11
M V30 13 1 2 13
M V30 14 1 11 3
M V30 15 2 13 14
M V30 16 1 14 12
M V30 17 1 1 15
M V30 18 1 1 16
M V30 19 1 9 17
M V30 20 1 11 18
M V30 21 1 8 19
M V30 22 1 19 20
M V30 23 1 19 21
M V30 24 1 19 22
M V30 25 1 14 23
M V30 26 1 23 24
M V30 27 1 23 25
M V30 28 1 23 26
M V30 29 2 28 17
M V30 30 2 29 27
M V30 31 1 17 30
M V30 32 1 27 28
M V30 33 2 30 31
M V30 34 1 31 29
M V30 35 1 29 32
M V30 36 2 34 32
M V30 37 2 35 33
M V30 38 1 32 36
M V30 39 1 33 34
M V30 40 2 36 37
M V30 41 1 37 35
M V30 42 2 39 18
M V30 43 2 40 38
M V30 44 1 18 41
M V30 45 1 38 39
M V30 46 2 41 42
M V30 47 1 42 40
M V30 48 1 40 43
M V30 49 2 45 43
M V30 50 2 46 44
M V30 51 1 43 47
M V30 52 1 44 45
M V30 53 2 47 48
M V30 54 1 48 46
M V30 55 10 27 49
M V30 56 10 49 34
M V30 57 10 42 50
M V30 58 10 50 47
M V30 59 10 49 51
M V30 60 10 49 52
M V30 61 10 49 53
M V30 62 10 49 54
M V30 63 10 50 55
M V30 64 10 50 56
M V30 65 10 50 57
M V30 66 10 50 58
M V30 67 3 53 59
M V30 68 3 54 60
M V30 69 3 52 61
M V30 70 3 57 62
M V30 71 3 58 63
M V30 72 3 55 64
M V30 END BOND
M V30 END CTAB
M END
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 40 45 0 0 0
M V30 BEGIN ATOM
M V30 1 Cl 10.925 -1.975 0 0 CHG=-1
M V30 2 C 7.95985 -2.27507 0 0
M V30 3 C 9.69015 -2.27459 0 0
M V30 4 C 8.82664 -1.77497 0 0
M V30 5 C 9.69015 -3.27553 0 0
M V30 6 C 7.95985 -3.28002 0 0
M V30 7 N 8.82882 -3.77503 0 0
M V30 8 N 7.09528 -3.78253 0 0
M V30 9 N 10.5567 -3.7747 0 0
M V30 10 P 7.09528 -4.78253 0 0
M V30 11 P 10.5567 -4.7747 0 0
M V30 12 Ru 8.825 -4.85 0 0 CHG=1
M V30 13 C 11.5226 -4.51588 0 0
M V30 14 C 6.12935 -4.52371 0 0
M V30 15 C 12.745 -3.29121 0 0
M V30 16 C 11.7813 -3.54917 0 0
M V30 17 C 13.4532 -3.99851 0 0
M V30 18 C 12.2337 -5.22601 0 0
M V30 19 C 13.198 -4.96093 0 0
M V30 20 C 4.45844 -4.97313 0 0
M V30 21 C 5.42201 -5.23159 0 0
M V30 22 C 4.19873 -4.00647 0 0
M V30 23 C 5.8686 -3.55318 0 0
M V30 24 C 4.90095 -3.30059 0 0
M V30 25 C 6.59528 -5.64856 0 0
M V30 26 C 6.59693 -7.37886 0 0
M V30 27 C 7.09597 -6.51501 0 0
M V30 28 C 5.59598 -7.37953 0 0
M V30 29 C 5.59033 -5.64923 0 0
M V30 30 C 5.0959 -6.51853 0 0
M V30 31 C 11.0567 -5.64073 0 0
M V30 32 C 12.556 -6.50445 0 0
M V30 33 C 12.0574 -5.64034 0 0
M V30 34 C 12.0561 -7.37163 0 0
M V30 35 C 10.5548 -6.51137 0 0
M V30 36 C 11.0604 -7.37421 0 0
M V30 37 C 8.225 -5.96603 0 0 CHG=-1
M V30 38 C 9.45 -5.96603 0 0 CHG=-1
M V30 39 O 7.725 -6.83205 0 0 CHG=1
M V30 40 O 9.95 -6.83205 0 0 CHG=1
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 4 4 2
M V30 2 4 5 3
M V30 3 4 2 6
M V30 4 4 3 4
M V30 5 4 6 7
M V30 6 4 7 5
M V30 7 1 6 8
M V30 8 1 5 9
M V30 9 1 8 10
M V30 10 1 9 11
M V30 11 10 10 12
M V30 12 10 7 12
M V30 13 10 11 12
M V30 14 1 11 13
M V30 15 1 10 14
M V30 16 4 16 13
M V30 17 4 17 15
M V30 18 4 13 18
M V30 19 4 15 16
M V30 20 4 18 19
M V30 21 4 19 17
M V30 22 4 21 14
M V30 23 4 22 20
M V30 24 4 14 23
M V30 25 4 20 21
M V30 26 4 23 24
M V30 27 4 24 22
M V30 28 1 10 25
M V30 29 4 27 25
M V30 30 4 28 26
M V30 31 4 25 29
M V30 32 4 26 27
M V30 33 4 29 30
M V30 34 4 30 28
M V30 35 1 11 31
M V30 36 4 33 31
M V30 37 4 34 32
M V30 38 4 31 35
M V30 39 4 32 33
M V30 40 4 35 36
M V30 41 4 36 34
M V30 42 10 12 37
M V30 43 10 12 38
M V30 44 3 37 39
M V30 45 3 38 40
M V30 END BOND
M V30 END CTAB
M END
RDKit 2D
0 0 0 0 0 0 0 0 0 0999 V3000
M V30 BEGIN CTAB
M V30 COUNTS 42 47 0 0 0
M V30 BEGIN ATOM
M V30 1 Cl 10.925 -1.975 0 0 CHG=-1
M V30 2 C 7.95985 -2.27507 0 0
M V30 3 C 9.69015 -2.27459 0 0
M V30 4 C 8.82664 -1.77497 0 0
M V30 5 C 9.69015 -3.27553 0 0
M V30 6 C 7.95985 -3.28002 0 0
M V30 7 N 8.82882 -3.77503 0 0
M V30 8 N 7.09528 -3.78253 0 0
M V30 9 N 10.5567 -3.7747 0 0
M V30 10 P 7.09528 -4.78253 0 0
M V30 11 P 10.5567 -4.7747 0 0
M V30 12 Ru 8.825 -4.85 0 0 CHG=1
M V30 13 C 11.5226 -4.51588 0 0
M V30 14 C 6.12935 -4.52371 0 0
M V30 15 C 12.745 -3.29121 0 0
M V30 16 C 11.7813 -3.54917 0 0
M V30 17 C 13.4532 -3.99851 0 0
M V30 18 C 12.2337 -5.22601 0 0
M V30 19 C 13.198 -4.96093 0 0
M V30 20 C 4.45844 -4.97313 0 0
M V30 21 C 5.42201 -5.23159 0 0
M V30 22 C 4.19873 -4.00647 0 0
M V30 23 C 5.8686 -3.55318 0 0
M V30 24 C 4.90095 -3.30059 0 0
M V30 25 C 6.59528 -5.64856 0 0
M V30 26 C 6.59693 -7.37886 0 0
M V30 27 C 7.09597 -6.51501 0 0
M V30 28 C 5.59598 -7.37953 0 0
M V30 29 C 5.59033 -5.64923 0 0
M V30 30 C 5.0959 -6.51853 0 0
M V30 31 C 11.0567 -5.64073 0 0
M V30 32 C 12.556 -6.50445 0 0
M V30 33 C 12.0574 -5.64034 0 0
M V30 34 C 12.0561 -7.37163 0 0
M V30 35 C 10.5548 -6.51137 0 0
M V30 36 C 11.0604 -7.37421 0 0
M V30 37 C 8.225 -5.96603 0 0 CHG=-1
M V30 38 C 9.45 -5.96603 0 0 CHG=-1
M V30 39 O 7.725 -6.83205 0 0 CHG=1
M V30 40 O 9.95 -6.83205 0 0 CHG=1
M V30 41 C 11.4227 -3.2747 0 0
M V30 42 C 6.22925 -3.28253 0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 4 4 2
M V30 2 4 5 3
M V30 3 4 2 6
M V30 4 4 3 4
M V30 5 4 6 7
M V30 6 4 7 5
M V30 7 1 6 8
M V30 8 1 5 9
M V30 9 1 8 10
M V30 10 1 9 11
M V30 11 10 10 12
M V30 12 10 7 12
M V30 13 10 11 12
M V30 14 1 11 13
M V30 15 1 10 14
M V30 16 4 16 13
M V30 17 4 17 15
M V30 18 4 13 18
M V30 19 4 15 16
M V30 20 4 18 19
M V30 21 4 19 17
M V30 22 4 21 14
M V30 23 4 22 20
M V30 24 4 14 23
M V30 25 4 20 21
M V30 26 4 23 24
M V30 27 4 24 22
M V30 28 1 10 25
M V30 29 4 27 25
M V30 30 4 28 26
M V30 31 4 25 29
M V30 32 4 26 27
M V30 33 4 29 30
M V30 34 4 30 28
M V30 35 1 11 31
M V30 36 4 33 31
M V30 37 4 34 32
M V30 38 4 31 35
M V30 39 4 32 33
M V30 40 4 35 36
M V30 41 4 36 34
M V30 42 10 12 37
M V30 43 10 12 38
M V30 44 3 37 39
M V30 45 3 38 40
M V30 46 1 9 41
M V30 47 1 8 42
M V30 END BOND
M V30 END CTAB
M END
-INDIGO-01122412122D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 27 32 0 0 0
M V30 BEGIN ATOM
M V30 1 C 6.66563 -3.83182 0.0 0
M V30 2 C 8.16176 -3.83141 0.0 0
M V30 3 C 7.41512 -3.3994 0.0 0
M V30 4 N 8.16176 -4.69689 0.0 0
M V30 5 C 6.66563 -4.70077 0.0 0
M V30 6 C 7.417 -5.12879 0.0 0
M V30 7 C 8.91079 -3.39942 0.0 0
M V30 8 C 9.65823 -2.10337 0.0 0
M V30 9 C 8.91086 -2.53414 0.0 0
M V30 10 C 10.4079 -2.53595 0.0 0
M V30 11 N 9.66341 -3.83374 0.0 0
M V30 12 C 10.4097 -3.3969 0.0 0
M V30 13 C 6.68725 -6.40421 0.0 0
M V30 14 N 8.18338 -6.40379 0.0 0
M V30 15 C 7.43673 -5.97179 0.0 0
M V30 16 C 8.18338 -7.26927 0.0 0
M V30 17 C 6.68725 -7.27316 0.0 0
M V30 18 C 7.43862 -7.70118 0.0 0
M V30 19 C 8.93262 -7.70089 0.0 0
M V30 20 C 10.4288 -7.69803 0.0 0
M V30 21 N 9.6814 -7.26724 0.0 0
M V30 22 C 10.4302 -8.56351 0.0 0
M V30 23 C 8.93404 -8.56983 0.0 0
M V30 24 C 9.68611 -8.99663 0.0 0
M V30 25 Ru 9.65664 -5.53338 0.0 0 CHG=2
M V30 26 Cl 10.9874 -4.79065 0.0 0 CHG=-1
M V30 27 Cl 10.9874 -6.28831 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 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 16 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 10 11 25
M V30 28 10 25 21
M V30 29 10 25 14
M V30 30 10 25 4
M V30 31 10 26 25
M V30 32 10 27 25
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01262410482D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 13 12 0 0 0
M V30 BEGIN ATOM
M V30 1 O 9.45 -4.90556 0.0 0
M V30 2 C 10.259 -5.49335 0.0 0
M V30 3 C 9.94999 -6.44444 0.0 0
M V30 4 C 8.95001 -6.44444 0.0 0
M V30 5 C 8.64101 -5.49335 0.0 0
M V30 6 O 8.36221 -7.25345 0.0 0 CHG=-1
M V30 7 O 10.5378 -7.25345 0.0 0
M V30 8 O 11.21 -5.18433 0.0 0
M V30 9 C 7.68995 -5.18433 0.0 0
M V30 10 O 7.48205 -4.20618 0.0 0
M V30 11 C 6.94681 -5.85346 0.0 0
M V30 12 O 5.99575 -5.54444 0.0 0
M V30 13 Na 7.4 -7.325 0.0 0 CHG=1
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 1 4 6
M V30 7 1 3 7
M V30 8 2 2 8
M V30 9 1 5 9
M V30 10 1 9 10
M V30 11 1 9 11
M V30 12 1 11 12
M V30 END BOND
M V30 END CTAB
M END +
-INDIGO-01262410442D
0 0 0 0 0 0 0 0 0 0 0 V3000
M V30 BEGIN CTAB
M V30 COUNTS 6 6 0 0 0
M V30 BEGIN ATOM
M V30 1 C 5.75005 -2.77995 0.0 0
M V30 2 C 6.25044 -4.32005 0.0 0
M V30 3 C 6.55968 -3.37381 0.0 0
M V30 4 C 5.24966 -4.32005 0.0 0
M V30 5 C 4.94032 -3.37381 0.0 0
M V30 6 O 7.6 -2.875 0.0 0
M V30 END ATOM
M V30 BEGIN BOND
M V30 1 1 1 5
M V30 2 2 2 3
M V30 3 1 3 1
M V30 4 1 4 2
M V30 5 2 5 4
M V30 6 1 6 3
M V30 END BOND
M V30 END CTAB
M END +
