NCI:78613 BBtclserve11129917152D 0 0.00000 0.00000 62820 4609-53-4 25 26 0 0 0 0 0 0 0 0 2 V2000 6.1808 1.6445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 1.1445 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 1.6445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 2.6445 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.7788 1.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9128 -0.3555 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4781 0.1500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 1.5513 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.7788 3.1445 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0468 3.1445 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.7788 0.1445 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -0.5191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.0579 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.8081 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -0.3555 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.0134 -1.4973 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1723 -0.2101 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6448 -1.3555 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5109 0.1445 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.7565 -2.1664 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5486 -3.1445 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 2 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 6 10 2 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 9 15 2 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 1 0 0 0 0 15 19 1 0 0 0 0 16 20 1 0 0 0 0 16 21 2 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 24 25 1 0 0 0 0 10 15 1 0 0 0 0 17 18 2 0 0 0 0 M CHG 4 8 1 14 -1 19 1 23 -1 M END