NCI:117448 BBtclserve11129917322D 0 0.00000 0.00000 89459 75659-75-5 20 21 0 0 0 0 0 0 0 0 2 V2000 3.7321 1.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.9182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.4182 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5116 2.0114 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7026 3.4127 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7196 1.0333 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 2.7546 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9595 4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6808 3.6206 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.0818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5818 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.5818 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -4.0818 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -4.0818 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 1 0 0 0 0 3 7 1 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 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 8 14 1 0 0 0 0 13 15 1 0 0 0 0 14 16 2 0 0 0 0 15 17 2 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 10 12 1 0 0 0 0 16 17 1 0 0 0 0 M CHG 2 18 1 20 -1 M END