TITL 00SRC137 in P-1 OpenBabel09240913053D 96102 0 0 0 0 0 0 0 0999 V2000 10.9009 1.3869 6.7322 Fe 0 0 0 0 0 12.8805 6.7663 5.3117 N 0 0 0 0 0 11.7723 5.0825 6.3829 N 0 0 0 0 0 12.5461 4.6671 6.3269 H 0 0 0 0 0 9.7198 4.9317 7.3158 O 0 0 0 0 0 13.7446 9.3911 2.2599 O 0 0 0 0 0 14.2123 8.2046 4.1883 N 0 0 0 0 0 14.8737 7.9963 4.7301 H 0 0 0 0 0 10.8104 4.4461 7.1049 C 0 0 0 0 0 11.6919 6.3156 5.7153 C 0 0 0 0 0 12.4258 2.3956 7.6064 C 0 0 0 0 0 13.2228 2.6813 7.1756 H 0 0 0 0 0 10.5237 6.9927 5.4863 C 0 0 0 0 0 9.6940 6.6557 5.8034 H 0 0 0 0 0 12.8966 7.9037 4.6136 C 0 0 0 0 0 11.1883 3.1373 7.6908 C 0 0 0 0 0 11.7922 8.6414 4.3282 C 0 0 0 0 0 11.8535 9.4492 3.8321 H 0 0 0 0 0 15.9780 8.5874 2.6331 C 0 0 0 0 0 10.3070 1.8141 4.8386 C 0 0 0 0 0 10.2258 2.6832 4.4637 H 0 0 0 0 0 10.5849 8.1752 4.7837 C 0 0 0 0 0 9.7909 8.6686 4.6144 H 0 0 0 0 0 11.1398 -0.1578 5.4633 C 0 0 0 0 0 11.7315 -0.8884 5.6001 H 0 0 0 0 0 10.2653 2.3344 8.4032 C 0 0 0 0 0 9.3622 2.5594 8.5935 H 0 0 0 0 0 12.2391 1.1891 8.2693 C 0 0 0 0 0 12.8886 0.5028 8.3666 H 0 0 0 0 0 9.2872 1.1310 5.5032 C 0 0 0 0 0 8.4063 1.4492 5.6620 H 0 0 0 0 0 9.8051 -0.1116 5.8924 C 0 0 0 0 0 9.3393 -0.7950 6.3596 H 0 0 0 0 0 10.9111 1.1549 8.7778 C 0 0 0 0 0 10.5286 0.4492 9.2860 H 0 0 0 0 0 14.5336 8.8002 2.9869 C 0 0 0 0 0 11.4700 1.0292 4.8052 C 0 0 0 0 0 12.3063 1.2574 4.4165 H 0 0 0 0 0 16.9878 8.6405 3.5598 C 0 0 0 0 0 16.7913 8.8275 4.4703 H 0 0 0 0 0 10.4131 11.4417 0.2668 Fe 0 0 0 0 0 11.5368 7.8252 0.7914 N 0 0 0 0 0 12.2301 8.3547 0.9070 H 0 0 0 0 0 9.4808 7.7316 -0.1588 O 0 0 0 0 0 12.8479 6.3414 1.8756 N 0 0 0 0 0 13.0518 5.2075 2.5292 C 0 0 0 0 0 10.5796 5.7059 1.5715 C 0 0 0 0 0 9.7156 5.9025 1.2288 H 0 0 0 0 0 11.6285 6.5940 1.4100 C 0 0 0 0 0 10.5339 8.3424 0.0294 C 0 0 0 0 0 14.3699 5.0365 2.9593 N 0 0 0 0 0 14.9774 5.4223 2.4530 H 0 0 0 0 0 14.8627 4.3694 4.0348 C 0 0 0 0 0 12.0587 4.2698 2.7523 C 0 0 0 0 0 12.2286 3.4736 3.2419 H 0 0 0 0 0 11.9755 10.4721 -0.5765 C 0 0 0 0 0 12.7941 10.2554 -0.1457 H 0 0 0 0 0 10.7833 9.6644 -0.6030 C 0 0 0 0 0 9.8204 10.3603 -1.3469 C 0 0 0 0 0 8.9362 10.0614 -1.5240 H 0 0 0 0 0 10.8218 4.5412 2.2360 C 0 0 0 0 0 10.1211 3.9086 2.3423 H 0 0 0 0 0 16.3556 4.4651 4.1812 C 0 0 0 0 0 10.6893 13.0443 1.4668 C 0 0 0 0 0 11.3017 13.7527 1.3064 H 0 0 0 0 0 16.9035 4.5956 5.4327 C 0 0 0 0 0 16.3520 4.6127 6.2061 H 0 0 0 0 0 10.3812 11.5808 -1.7906 C 0 0 0 0 0 9.9503 12.2425 -2.3186 H 0 0 0 0 0 11.7042 11.6275 -1.2988 C 0 0 0 0 0 12.3157 12.3406 -1.4404 H 0 0 0 0 0 8.8011 11.7883 1.4848 C 0 0 0 0 0 7.9103 11.4896 1.3444 H 0 0 0 0 0 18.5473 4.4988 3.2008 C 0 0 0 0 0 19.1074 4.4543 2.4348 H 0 0 0 0 0 18.2756 4.7014 5.5401 C 0 0 0 0 0 18.6659 4.8211 6.3979 H 0 0 0 0 0 9.8075 11.1002 2.1818 C 0 0 0 0 0 9.7158 10.2484 2.5923 H 0 0 0 0 0 17.1819 4.4237 3.0736 C 0 0 0 0 0 16.7981 4.3417 2.2085 H 0 0 0 0 0 10.9562 11.8736 2.1694 C 0 0 0 0 0 11.7853 11.6438 2.5722 H 0 0 0 0 0 9.3491 12.9921 1.0354 C 0 0 0 0 0 8.8981 13.6574 0.5289 H 0 0 0 0 0 19.0837 4.6381 4.4442 C 0 0 0 0 0 20.0264 4.6915 4.5487 H 0 0 0 0 0 14.1587 3.7837 4.8491 O 0 0 0 0 0 16.2839 8.2548 1.3451 C 0 0 0 0 0 15.5941 8.1993 0.6943 H 0 0 0 0 0 17.6023 7.9964 0.9812 C 0 0 0 0 0 17.8201 7.7641 0.0862 H 0 0 0 0 0 18.5649 8.0818 1.9217 C 0 0 0 0 0 19.4668 7.8946 1.6895 H 0 0 0 0 0 18.2649 8.4251 3.1699 C 0 0 0 0 0 18.9652 8.5216 3.8045 H 0 0 0 0 0 24 1 1 0 0 0 1 16 1 0 0 0 15 2 2 0 0 0 2 10 1 0 0 0 10 3 1 0 0 0 4 3 1 0 0 0 3 9 1 0 0 0 9 5 2 0 0 0 6 36 2 0 0 0 36 7 1 0 0 0 7 15 1 0 0 0 7 8 1 0 0 0 9 16 1 0 0 0 13 10 2 0 0 0 12 11 1 0 0 0 11 16 1 0 0 0 11 28 2 0 0 0 22 13 1 0 0 0 13 14 1 0 0 0 17 15 1 0 0 0 16 26 1 0 0 0 18 17 1 0 0 0 17 22 2 0 0 0 89 19 2 0 0 0 19 36 1 0 0 0 19 39 1 0 0 0 21 20 1 0 0 0 37 20 1 0 0 0 20 30 2 0 0 0 23 22 1 0 0 0 37 24 1 0 0 0 24 25 1 0 0 0 24 32 1 0 0 0 26 27 1 0 0 0 26 34 2 0 0 0 28 29 1 0 0 0 28 34 1 0 0 0 30 31 1 0 0 0 30 32 1 0 0 0 32 33 1 0 0 0 34 35 1 0 0 0 38 37 1 0 0 0 95 39 2 0 0 0 39 40 1 0 0 0 58 41 1 0 0 0 41 64 1 0 0 0 50 42 1 0 0 0 42 43 1 0 0 0 42 49 1 0 0 0 44 50 2 0 0 0 49 45 2 0 0 0 45 46 1 0 0 0 46 54 2 0 0 0 46 51 1 0 0 0 48 47 1 0 0 0 49 47 1 0 0 0 47 61 2 0 0 0 58 50 1 0 0 0 52 51 1 0 0 0 51 53 1 0 0 0 53 63 1 0 0 0 53 88 2 0 0 0 61 54 1 0 0 0 54 55 1 0 0 0 70 56 2 0 0 0 58 56 1 0 0 0 56 57 1 0 0 0 59 58 1 0 0 0 68 59 2 0 0 0 60 59 1 0 0 0 61 62 1 0 0 0 80 63 2 0 0 0 63 66 1 0 0 0 84 64 1 0 0 0 65 64 1 0 0 0 64 82 1 0 0 0 66 76 2 0 0 0 66 67 1 0 0 0 69 68 1 0 0 0 68 70 1 0 0 0 71 70 1 0 0 0 84 72 2 0 0 0 73 72 1 0 0 0 72 78 1 0 0 0 75 74 1 0 0 0 80 74 1 0 0 0 74 86 2 0 0 0 86 76 1 0 0 0 76 77 1 0 0 0 82 78 2 0 0 0 78 79 1 0 0 0 81 80 1 0 0 0 82 83 1 0 0 0 85 84 1 0 0 0 86 87 1 0 0 0 90 89 1 0 0 0 91 89 1 0 0 0 92 91 1 0 0 0 91 93 2 0 0 0 94 93 1 0 0 0 93 95 1 0 0 0 95 96 1 0 0 0 M END