NCI:112308 BBtclserve11129917302D 0 0.00000 0.00000 85831 35819-86-4 38 42 0 0 0 0 0 0 0 0 1 V2000 4.4684 -3.3976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1139 -2.6339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8230 -4.1614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7047 -2.7522 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2324 -4.0431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1139 -1.6339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8387 -3.9842 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1618 -5.1023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8818 -1.7680 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7638 -3.0908 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0553 -5.0273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1731 -3.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -1.1339 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2479 -1.1339 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1933 -4.7481 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5163 -5.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1180 -1.1225 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8191 -5.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9369 -4.3498 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 -0.1339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5320 -5.6890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1771 -1.4613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7599 -5.3340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1139 0.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1139 1.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 1.8661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 2.8661 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.9800 2.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9800 2.8661 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 3.8661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 4.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 4.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1140 5.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8460 5.3661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9800 5.8661 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 1 4 1 0 0 0 0 1 5 1 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 2 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 1 0 0 0 0 12 20 2 0 0 0 0 13 21 1 0 0 0 0 15 22 2 0 0 0 0 17 23 2 0 0 0 0 19 24 2 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 25 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 29 30 1 0 0 0 0 30 31 2 0 0 0 0 30 32 2 0 0 0 0 30 33 1 0 0 0 0 33 34 1 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 36 38 1 0 0 0 0 16 22 1 0 0 0 0 18 23 1 0 0 0 0 20 24 1 0 0 0 0 28 29 1 0 0 0 0 37 38 1 0 0 0 0 M END