NCI:658997 BBtclserve11129920082D 0 0.00000 0.00000230423 999-99-9 27 30 0 0 0 0 0 0 0 0 2 V2000 2.5000 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -2.0392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0000 -1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5000 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.3071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.1732 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7321 -0.1732 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4367 -1.2178 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9909 0.7928 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8555 0.3451 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2139 -0.5885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1798 -0.8473 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8869 -0.1402 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5600 0.3081 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8529 -0.3990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1117 -1.3649 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0776 -1.6238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7847 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5259 0.0493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3011 1.2740 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.0082 1.9811 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3352 1.5328 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 13.7506 -1.1755 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 14.0094 -2.1414 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4577 -0.4684 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7543 1.6414 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6203 2.1414 0.0000 C 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 9 10 1 0 0 0 0 8 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 18 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 7 26 1 0 0 0 0 9 27 1 0 0 0 0 5 6 1 0 0 0 0 10 11 1 0 0 0 0 14 15 2 0 0 0 0 18 19 2 0 0 0 0 26 27 1 0 0 0 0 M CHG 4 20 1 22 -1 23 1 25 -1 M END