NCI:53100 BBtclserve11129917042D 0 0.00000 0.00000 44933 6631-44-3 28 30 0 0 0 0 0 0 0 0 2 V2000 4.7442 1.0558 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 0.0707 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5114 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9771 1.6973 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7063 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 -0.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5114 1.6920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0160 2.5659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0380 1.3536 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1490 2.6824 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7672 -0.0856 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7063 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3044 0.0707 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.4383 -1.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0159 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5205 3.4293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2708 1.9951 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3818 3.3238 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7270 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5953 0.8995 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5723 -1.9293 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1704 -0.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1324 1.0558 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5205 3.4241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4427 2.9802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5723 -2.9293 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7063 -3.4293 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4383 -3.4293 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 2 5 2 0 0 0 0 2 6 1 0 0 0 0 3 7 2 0 0 0 0 3 8 1 0 0 0 0 4 9 2 0 0 0 0 4 10 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 6 13 1 0 0 0 0 6 14 2 0 0 0 0 7 15 1 0 0 0 0 8 16 2 0 0 0 0 9 17 1 0 0 0 0 10 18 2 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 12 21 2 0 0 0 0 13 22 2 0 0 0 0 13 23 1 0 0 0 0 15 24 2 0 0 0 0 17 25 2 0 0 0 0 21 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 14 21 1 0 0 0 0 16 24 1 0 0 0 0 18 25 1 0 0 0 0 M CHG 6 11 1 13 1 20 -1 23 -1 26 1 28 -1 M END