NCI:311331 BBtclserve11129918592D 0 0.00000 0.00000171091 999-99-9 45 52 0 0 0 0 0 0 0 0 2 V2000 7.4840 2.3479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0772 3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8962 1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6650 4.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 0.5878 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 5.8962 1.5388 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.6595 3.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2583 4.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3962 0.0000 0.0000 Pt 0 0 0 0 0 0 0 0 0 0 0 0 5.5872 0.5878 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.2473 4.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8460 5.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2052 -0.5878 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.5872 -0.5878 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 4.6361 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8406 5.6885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8962 -1.5388 0.0000 N 0 5 0 0 0 0 0 0 0 0 0 0 8.1563 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8962 -1.5388 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8271 0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3271 -0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9653 -0.8665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4653 0.6723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3084 -2.3479 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7226 1.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9149 -1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3271 -0.6723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7743 -0.2788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0698 -1.8611 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8775 1.4813 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4653 0.6723 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7152 -3.2614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1045 0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8090 2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6878 -0.6855 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9834 -2.2678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1274 -4.0704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7924 -1.6800 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1328 -3.9659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5341 -4.9840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5451 -4.7749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9463 -5.7930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9518 -5.6885 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 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 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 7 11 1 0 0 0 0 8 12 2 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 19 2 0 0 0 0 15 20 1 0 0 0 0 15 21 1 0 0 0 0 18 22 1 0 0 0 0 18 23 1 0 0 0 0 19 24 1 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 29 2 0 0 0 0 22 30 1 0 0 0 0 23 31 2 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 25 34 1 0 0 0 0 26 35 2 0 0 0 0 29 36 1 0 0 0 0 30 37 2 0 0 0 0 33 38 1 0 0 0 0 34 39 2 0 0 0 0 36 40 2 0 0 0 0 38 41 2 0 0 0 0 38 42 1 0 0 0 0 41 43 1 0 0 0 0 42 44 2 0 0 0 0 43 45 2 0 0 0 0 9 10 1 0 0 0 0 12 16 1 0 0 0 0 17 19 1 0 0 0 0 25 28 1 0 0 0 0 29 32 1 0 0 0 0 35 39 1 0 0 0 0 37 40 1 0 0 0 0 44 45 1 0 0 0 0 M CHG 6 5 1 6 -1 10 1 13 1 14 1 17 -1 M END