NCI:301671 BBtclserve11129918502D 0 0.00000 0.00000167922 1392-46-7 76 83 0 0 0 0 0 0 0 0 1 V2000 12.1042 1.6918 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0224 2.0879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3021 2.2890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6159 1.5616 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8021 3.1550 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7804 1.0121 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3967 0.9368 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.0889 4.1130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0448 0.0477 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0437 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0737 3.9394 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1470 5.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8474 0.5540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9734 6.0961 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.1373 4.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8542 0.6701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2435 -0.3642 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8563 6.5656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5757 5.8710 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9145 1.0121 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2570 -0.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6464 -1.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9801 7.8165 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0790 1.5616 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6501 0.0477 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6531 -1.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0424 -2.0846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7075 8.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2141 8.4593 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2982 0.9368 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6512 0.0012 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0181 -2.3038 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5324 -2.9447 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 11.4769 9.4758 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6655 8.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3205 8.9081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8928 3.1550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1111 -3.2995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1929 -3.6956 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6625 9.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3474 9.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9746 2.7589 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6060 4.1130 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9712 -3.8095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7778 9.1704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3474 9.1387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5478 5.1113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0642 -4.8052 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8894 -3.4135 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4807 8.4592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3744 8.9080 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5495 5.1694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7215 6.0961 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0398 -5.0245 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5499 -4.1643 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7147 7.8164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.3339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1007 6.0631 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7635 6.3829 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1175 7.0143 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4359 -5.9427 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9873 8.5027 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4292 -6.0588 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8388 -6.7448 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0293 8.2159 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8252 -6.9770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8185 -7.0931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2281 -7.7791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2146 -8.0113 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4156 -6.2910 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6242 -8.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2348 -7.6630 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.2078 -8.1274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6039 -9.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5971 -9.1617 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0067 -9.8477 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 2 0 0 0 0 3 4 1 0 0 0 0 3 5 1 0 0 0 0 4 6 2 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 2 0 0 0 0 13 17 1 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 1 0 0 0 0 17 22 2 0 0 0 0 18 23 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 26 2 0 0 0 0 22 27 1 0 0 0 0 23 28 1 0 0 0 0 23 29 1 0 0 0 0 24 30 1 0 0 0 0 25 31 1 0 0 0 0 27 32 2 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 28 35 1 0 0 0 0 29 36 1 0 0 0 0 30 37 1 0 0 0 0 32 38 1 0 0 0 0 33 39 1 0 0 0 0 36 40 2 0 0 0 0 36 41 1 0 0 0 0 37 42 2 0 0 0 0 37 43 1 0 0 0 0 38 44 1 0 0 0 0 41 45 1 0 0 0 0 41 46 2 0 0 0 0 43 47 1 0 0 0 0 44 48 2 0 0 0 0 44 49 1 0 0 0 0 45 50 2 0 0 0 0 46 51 1 0 0 0 0 47 52 1 0 0 0 0 47 53 1 0 0 0 0 48 54 1 0 0 0 0 49 55 1 0 0 0 0 50 56 1 0 0 0 0 52 57 1 0 0 0 0 52 58 1 0 0 0 0 53 59 2 0 0 0 0 53 60 1 0 0 0 0 54 61 1 0 0 0 0 56 62 2 0 0 0 0 61 63 1 0 0 0 0 61 64 2 0 0 0 0 62 65 1 0 0 0 0 63 66 1 0 0 0 0 66 67 1 0 0 0 0 66 68 1 0 0 0 0 67 69 1 0 0 0 0 67 70 2 0 0 0 0 68 71 1 0 0 0 0 68 72 1 0 0 0 0 69 73 1 0 0 0 0 73 74 1 0 0 0 0 74 75 1 0 0 0 0 74 76 1 0 0 0 0 9 10 2 0 0 0 0 18 19 1 0 0 0 0 22 26 1 0 0 0 0 30 31 2 0 0 0 0 38 39 2 0 0 0 0 50 51 1 0 0 0 0 54 55 2 0 0 0 0 56 60 1 0 0 0 0 M END