NCI:176511 BBtclserve11129918102D 0 0.00000 0.00000129912 999-99-9 83 92 0 0 0 0 0 0 0 0 2 V2000 6.3068 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3068 1.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 2.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 0.8342 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 3.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4408 -0.1658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 4.3342 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5000 4.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 4.3342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 1.7162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 3.8342 0.0000 Mg 0 0 0 0 0 0 0 0 0 0 0 0 8.0388 5.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5000 4.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0878 5.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9410 4.9523 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4089 0.8324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1165 3.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 4.3342 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9049 2.8342 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.9049 5.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 5.7002 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0000 3.9682 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7788 6.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1728 2.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4082 0.7958 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1165 3.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 3.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 5.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7709 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0389 2.3342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 5.7002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8762 -0.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3097 4.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6369 2.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7220 5.6432 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5630 1.3561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5685 1.2515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 4.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 6.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8755 -0.1246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3448 -0.9351 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3097 4.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0310 6.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9408 0.4302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 0.3855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 7.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 6.5662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3434 -1.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8097 5.7003 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3618 7.3374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3279 -0.3600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 7.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3428 -1.0450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8097 5.7003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8107 -1.9288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3097 4.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3097 6.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8100 -1.9654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2793 -2.7759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8097 7.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3097 6.5663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2780 -2.8492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3097 8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8097 7.4323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2773 -2.8858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3097 8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.7452 -3.7696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.7445 -3.8062 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2138 -4.6167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.2125 -4.6900 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2118 -4.7266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.6797 -5.6104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.6791 -5.6470 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1483 -6.4575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.1470 -6.5308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1463 -6.5675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6143 -7.4512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 24.6136 -7.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.0829 -8.2983 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 6 9 2 0 0 0 0 6 10 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 10 16 2 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 12 19 1 0 0 0 0 13 20 1 0 0 0 0 13 21 1 0 0 0 0 14 22 2 0 0 0 0 15 23 1 0 0 0 0 15 24 2 0 0 0 0 16 25 1 0 0 0 0 17 26 2 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 20 29 1 0 0 0 0 20 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 2 0 0 0 0 23 33 1 0 0 0 0 27 34 1 0 0 0 0 29 35 2 0 0 0 0 29 36 1 0 0 0 0 30 37 2 0 0 0 0 31 38 1 0 0 0 0 32 39 1 0 0 0 0 33 40 1 0 0 0 0 33 41 1 0 0 0 0 34 42 1 0 0 0 0 34 43 2 0 0 0 0 35 44 1 0 0 0 0 37 45 1 0 0 0 0 38 46 1 0 0 0 0 39 47 1 0 0 0 0 41 48 2 0 0 0 0 41 49 1 0 0 0 0 42 50 1 0 0 0 0 44 51 2 0 0 0 0 45 52 1 0 0 0 0 46 53 2 0 0 0 0 48 54 1 0 0 0 0 49 55 2 0 0 0 0 50 56 1 0 0 0 0 51 57 1 0 0 0 0 54 58 2 0 0 0 0 56 59 2 0 0 0 0 57 60 1 0 0 0 0 57 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