NCI:45623 BBtclserve11129917012D 0 0.00000 0.00000 39502 7147-80-0 55 60 0 0 0 0 0 0 0 0 1 V2000 21.9186 0.5670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 -0.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.9186 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.9186 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.0526 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1866 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 22.7846 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.9186 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.1866 3.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 23.6507 3.5669 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 19.3205 3.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.4545 1.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 24.5167 4.0669 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 24.1507 2.7009 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 23.1507 4.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 17.5885 2.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.7225 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7225 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8564 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.9904 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.7224 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1244 0.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.2583 0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 1.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 0.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -1.4330 0.0000 N 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 8.9282 0.0670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.9330 0.0000 N 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 4.5981 -1.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.9330 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 3.7320 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9330 0.0000 C 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 2.0000 -3.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 12 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 16 20 2 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 29 30 2 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 31 33 1 0 0 0 0 32 34 1 0 0 0 0 32 35 1 0 0 0 0 33 36 2 0 0 0 0 35 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 2 0 0 0 0 39 41 1 0 0 0 0 41 42 2 0 0 0 0 41 43 1 0 0 0 0 42 44 1 0 0 0 0 43 45 2 0 0 0 0 44 46 2 0 0 0 0 46 47 1 0 0 0 0 47 48 1 0 0 0 0 48 49 2 0 0 0 0 48 50 1 0 0 0 0 50 51 2 0 0 0 0 50 52 1 0 0 0 0 51 53 1 0 0 0 0 52 54 2 0 0 0 0 53 55 2 0 0 0 0 10 11 1 0 0 0 0 13 15 1 0 0 0 0 25 27 1 0 0 0 0 36 37 1 0 0 0 0 45 46 1 0 0 0 0 54 55 1 0 0 0 0 M END