NCI:172613 BBtclserve11129918052D 0 0.00000 0.00000127474 61552-41-8 28 31 0 0 0 0 0 0 0 0 2 V2000 4.4487 -1.9653 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -0.9653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -2.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -0.4653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -0.4653 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -3.4598 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.0585 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 -0.7743 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 0.5347 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 -4.1289 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.5000 -3.6677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4612 -1.0804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 0.8438 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 1.0347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8536 0.0348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7166 1.0347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 -5.1071 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1724 -3.8199 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.5748 1.7948 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9870 2.6038 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5258 2.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5748 3.4129 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5258 3.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2658 4.3639 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3349 3.6916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9349 5.1071 0.0000 O 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 2 5 1 0 0 0 0 3 6 2 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 5 10 2 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 8 16 2 0 0 0 0 9 17 2 0 0 0 0 10 18 1 0 0 0 0 11 19 2 0 0 0 0 11 20 1 0 0 0 0 15 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 1 0 0 0 0 12 14 2 0 0 0 0 10 16 1 0 0 0 0 15 17 1 0 0 0 0 24 25 1 0 0 0 0 M CHG 2 11 1 20 -1 M END