NCI:649052 BBtclserve11129920032D 0 0.00000 0.00000226128 999-99-9 50 52 0 0 0 0 0 0 0 0 2 V2000 3.7321 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.0870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.4130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 -0.1040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0029 -0.9130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4152 -1.7220 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0029 -0.9130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 -2.6730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3641 -4.3672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6949 -5.1104 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.3422 -4.5752 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0870 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4130 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.0870 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.7242 0.8471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6752 1.1561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6752 2.1561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7242 2.4651 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1364 1.6561 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1364 1.6561 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6364 2.5221 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6364 2.5221 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1364 3.3882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4151 3.4162 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0843 4.1593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7753 5.1104 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0624 3.9514 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4842 2.7439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3978 2.3372 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2068 2.9250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1023 3.9195 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1203 2.5182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9294 3.1060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8429 2.6993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6519 3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5655 2.8803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3745 3.4681 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2880 3.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.0970 3.6492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.0106 3.2425 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.8196 3.8302 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.7332 3.4235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.5422 4.0113 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.4557 3.6046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.2647 4.1923 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.1783 3.7856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0551 -3.4162 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 4 9 1 0 0 0 0 8 10 2 0 0 0 0 9 11 2 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 1 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 7 18 1 0 0 0 0 18 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 1 0 0 0 0 18 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 21 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 20 31 1 0 0 0 0 31 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 1 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 1 0 0 0 0 11 50 1 0 0 0 0 5 6 1 0 0 0 0 8 9 1 0 0 0 0 21 22 1 0 0 0 0 12 50 1 0 0 0 0 M CHG 2 15 1 17 -1 M END