NCI:97858 BBtclserve11129917232D 0 0.00000 0.00000 76772 999-99-9 28 29 0 0 0 0 0 0 0 0 2 V2000 4.5981 -0.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.2723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 0.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2313 -0.3691 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6360 1.2574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 1.2723 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -1.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5751 1.6011 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8689 1.8989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7321 1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 2.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 1.2723 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.2277 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 3.7320 -2.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.7277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3423 0.9596 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.7471 2.5862 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0408 2.8840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2321 2.1384 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7277 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2277 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 4.5981 -3.2277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2814 1.3033 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1704 -0.0255 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.9799 3.2277 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 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 2 0 0 0 0 4 9 1 0 0 0 0 6 10 2 0 0 0 0 6 11 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 14 2 0 0 0 0 8 15 1 0 0 0 0 8 16 1 0 0 0 0 9 17 2 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 20 2 0 0 0 0 12 21 1 0 0 0 0 13 22 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 25 2 0 0 0 0 18 26 2 0 0 0 0 18 27 1 0 0 0 0 19 28 2 0 0 0 0 17 25 1 0 0 0 0 20 28 1 0 0 0 0 M CHG 4 15 1 18 1 24 -1 27 -1 M END