NCI:638612 BBtclserve11129919572D 0 0.00000 0.00000221188 999-99-9 28 29 0 0 0 0 0 0 0 0 2 V2000 4.5981 0.6772 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.1772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6772 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8029 2.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7870 2.2952 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4325 1.5314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0938 0.5905 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1096 0.4134 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1574 2.8819 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4961 3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1732 2.7048 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4167 1.7085 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.0622 0.9447 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7554 2.6493 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.7321 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.3228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8228 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3228 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6772 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -3.3228 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4641 -3.8228 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.8228 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 1 4 1 0 0 0 0 4 5 1 0 0 0 0 5 6 1 0 0 0 0 3 7 1 0 0 0 0 7 8 2 0 0 0 0 8 9 1 0 0 0 0 9 10 2 0 0 0 0 3 11 2 0 0 0 0 7 12 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 9 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 2 18 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 2 22 2 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 20 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 10 11 1 0 0 0 0 21 22 1 0 0 0 0 M CHG 8 12 1 14 -1 15 1 17 -1 23 1 25 -1 26 1 28 -1 M END