NCI:45215 BBtclserve11129917012D 0 0.00000 0.00000 39239 6642-57-5 45 48 0 0 0 0 0 0 0 0 2 V2000 4.5981 0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1961 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 4.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 2.7010 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 3.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5980 -4.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 4.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5622 2.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5622 4.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 1.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6602 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5670 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 10.6602 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4330 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 12.3923 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.5670 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.6602 -2.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.9330 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 3 5 2 0 0 0 0 3 6 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 8 13 2 0 0 0 0 9 14 1 0 0 0 0 9 15 2 0 0 0 0 10 16 1 0 0 0 0 10 17 2 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 14 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 18 23 2 0 0 0 0 18 24 1 0 0 0 0 19 25 1 0 0 0 0 20 26 1 0 0 0 0 21 27 2 0 0 0 0 25 28 1 0 0 0 0 25 29 1 0 0 0 0 26 30 2 0 0 0 0 26 31 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 33 34 2 0 0 0 0 33 35 1 0 0 0 0 34 36 1 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 37 39 1 0 0 0 0 37 40 2 0 0 0 0 38 41 1 0 0 0 0 39 42 2 0 0 0 0 39 43 1 0 0 0 0 41 44 2 0 0 0 0 41 45 1 0 0 0 0 11 15 1 0 0 0 0 13 19 1 0 0 0 0 17 20 1 0 0 0 0 38 40 1 0 0 0 0 M CHG 4 39 1 41 1 43 -1 45 -1 M END