NCI:209051 BBtclserve11129918192D 0 0.00000 0.00000140079 999-99-9 45 50 0 0 0 0 0 0 0 0 2 V2000 12.4787 0.4172 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 0.9172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4787 -0.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4493 1.9117 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 14.2583 0.5104 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6127 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 -1.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4274 2.1196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9274 1.2536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7466 -0.5828 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11.6127 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3447 -2.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8341 3.0332 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4787 -2.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2464 3.8422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8287 3.1377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4787 -3.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6531 4.7557 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2354 4.0512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6127 -4.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6476 4.8602 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6126 -5.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7466 -3.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0544 5.7738 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.7466 -5.5828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 -4.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0489 5.8783 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.4666 6.5828 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.7466 -6.5828 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.8806 -5.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0146 -5.5828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1485 -5.0828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2350 -5.4895 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0440 -4.0883 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5659 -4.7464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0659 -3.8804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 -4.8509 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 -5.7645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -4.0419 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 -5.8690 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -4.1464 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -5.1645 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1810 -6.0780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.3555 0.0000 O 0 5 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 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 2 0 0 0 0 8 13 1 0 0 0 0 11 14 2 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 24 1 0 0 0 0 22 25 1 0 0 0 0 23 26 2 0 0 0 0 24 27 2 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 32 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 40 1 0 0 0 0 39 41 2 0 0 0 0 40 42 2 0 0 0 0 42 43 1 0 0 0 0 43 44 2 0 0 0 0 43 45 1 0 0 0 0 8 9 2 0 0 0 0 12 14 1 0 0 0 0 19 21 1 0 0 0 0 26 30 1 0 0 0 0 35 36 2 0 0 0 0 41 42 1 0 0 0 0 M CHG 4 24 1 28 -1 43 1 45 -1 M END