Ketcher 08171813302D 1 1.00000 0.00000 0 88 91 0 0 0 999 V2000 15.0135 -14.0125 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0469 -13.0117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9143 -12.5446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1793 -12.5112 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9143 -11.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6149 -12.9116 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.1793 -11.5103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2785 -12.9783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7817 -11.0766 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0801 -11.0433 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3453 -11.0098 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6491 -10.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6491 -9.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4832 -11.1433 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4832 -9.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.7817 -9.0748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3507 -10.6429 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4499 -12.1109 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 19.3507 -9.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9477 -9.6087 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2181 -11.1767 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2515 -9.1748 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.1189 -9.6753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9530 -9.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8204 -9.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9530 -8.1740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 23.6878 -9.1416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.8539 -10.6762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9597 -7.1839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.5554 -9.6420 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1481 -6.6568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.8517 -6.7288 0.0000 R 0 0 0 0 0 0 0 0 0 0 0 0 25.4228 -9.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.2902 -9.6087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.1578 -9.1082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0252 -9.5753 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 28.0848 -10.5749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.2492 -11.1270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 27.3088 -12.1266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5030 -12.6934 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 26.5626 -13.6932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7270 -14.2452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.7866 -15.2448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.9808 -15.8117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 25.0406 -16.8114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3453 -10.0090 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9792 -14.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1451 -14.3128 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9792 -15.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8133 -15.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2777 -14.8133 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1451 -16.2812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6474 -14.7466 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.8133 -16.2480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2777 -15.7808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1451 -17.2488 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4103 -14.2795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4103 -13.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5095 -12.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4103 -15.3138 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5095 -14.8133 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2777 -12.7448 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4103 -16.2812 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4103 -17.3156 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5095 -17.8160 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2777 -17.8160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2777 -11.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 -12.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8079 -11.7438 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 -13.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9405 -12.2443 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8079 -13.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9405 -13.2119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8079 -14.6798 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -11.7105 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -10.7096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1722 -10.1758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1722 -9.1416 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -12.7448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1722 -12.2443 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.9405 -10.1758 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -13.7123 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0730 -14.7466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1722 -15.2470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9405 -15.2470 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1425 -11.3769 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1433 -11.3769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6420 -10.5095 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2 1 1 1 0 0 2 3 1 0 0 0 2 4 1 0 0 0 3 5 1 0 0 0 3 6 1 6 0 0 4 7 1 0 0 0 4 8 1 1 0 0 5 9 1 1 0 0 5 10 1 0 0 0 7 11 1 1 0 0 12 9 1 6 0 0 12 13 1 0 0 0 12 14 1 0 0 0 13 15 1 0 0 0 13 16 1 1 0 0 14 17 1 0 0 0 14 18 1 1 0 0 15 19 1 0 0 0 16 20 1 0 0 0 17 21 1 6 0 0 19 22 1 1 0 0 22 23 1 0 0 0 23 24 1 0 0 0 24 25 1 0 0 0 24 26 1 6 0 0 25 27 1 0 0 0 25 28 1 1 0 0 26 29 1 0 0 0 27 30 1 0 0 0 29 31 2 0 0 0 29 32 1 0 0 0 30 33 1 0 0 0 33 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 36 37 1 0 0 0 37 38 1 0 0 0 38 39 1 0 0 0 39 40 1 0 0 0 40 41 1 0 0 0 41 42 1 0 0 0 42 43 1 0 0 0 43 44 1 0 0 0 44 45 1 0 0 0 7 10 1 0 0 0 17 19 1 0 0 0 11 46 1 0 0 0 47 48 1 0 0 0 47 1 1 6 0 0 47 49 1 0 0 0 47 50 1 1 0 0 48 51 1 0 0 0 49 52 1 0 0 0 50 53 1 0 0 0 50 54 2 0 0 0 51 55 1 0 0 0 52 56 1 6 0 0 52 55 1 0 0 0 51 57 1 0 0 0 57 58 1 0 0 0 58 59 1 6 0 0 51 60 1 1 0 0 57 61 1 6 0 0 58 62 1 0 0 0 55 63 1 1 0 0 63 64 1 0 0 0 64 65 1 0 0 0 64 66 2 0 0 0 62 67 1 0 0 0 68 69 1 0 0 0 68 70 1 0 0 0 69 71 1 0 0 0 70 72 1 0 0 0 71 73 1 0 0 0 72 74 1 6 0 0 72 73 1 0 0 0 71 75 1 0 0 0 75 76 1 0 0 0 76 77 1 0 0 0 77 78 1 0 0 0 71 79 1 1 0 0 75 80 1 6 0 0 76 81 1 1 0 0 73 82 1 1 0 0 82 83 1 0 0 0 83 84 1 0 0 0 83 85 2 0 0 0 68 86 1 1 0 0 68 59 1 6 0 0 86 87 2 0 0 0 86 88 1 0 0 0 M CHG 2 53 -1 88 -1 M END