NCI:97106 BBtclserve11129917222D 0 0.00000 0.00000 76026 7057-45-6 34 36 0 0 0 0 0 0 0 0 2 V2000 9.3779 -0.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5119 -0.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3779 0.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -0.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5119 -1.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5689 1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1869 1.4410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3779 -2.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6178 1.1320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8779 2.3921 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8779 2.3921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -3.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3779 -3.1468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8747 1.8011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.4657 3.2011 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5119 -3.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9236 1.4921 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0590 4.1146 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5119 -4.6468 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.7157 0.5140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 2.1612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6467 4.9236 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0644 4.2191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6458 -5.1468 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3779 -5.1468 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.2294 1.8522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 3.1394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 2.5214 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 3.8085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 3.4995 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 4.1686 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 3.8596 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 5.1468 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 2 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 5 8 2 0 0 0 0 5 9 1 0 0 0 0 6 10 1 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 10 15 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 17 20 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 1 0 0 0 0 19 24 2 0 0 0 0 20 25 2 0 0 0 0 20 26 1 0 0 0 0 22 27 2 0 0 0 0 22 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 29 31 2 0 0 0 0 31 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 11 12 1 0 0 0 0 14 17 1 0 0 0 0 30 31 1 0 0 0 0 M CHG 4 20 1 26 -1 32 1 34 -1 M END