NCI:227150 BBtclserve11129918252D 0 0.00000 0.00000146876 999-99-9 31 34 0 0 0 0 0 0 0 0 2 V2000 5.5981 2.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4641 2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3052 0.7071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 0.7071 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 6.4641 3.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 2.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 0.0000 0.0000 Ni 0 0 0 0 0 0 0 0 0 0 0 0 7.3301 4.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1961 2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3052 -0.7071 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -0.7071 0.0000 S 0 3 0 0 0 0 0 0 0 0 0 0 7.8301 5.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8301 5.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1961 3.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1961 2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6961 2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -1.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0622 4.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5981 -2.4142 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7321 -3.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -2.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8660 -4.4142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 -5.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3660 -5.2802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0000 -3.9142 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -2.0482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1340 -4.4142 0.0000 O 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 2 4 1 0 0 0 0 2 5 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 4 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 14 1 0 0 0 0 9 15 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 18 1 0 0 0 0 15 19 1 0 0 0 0 18 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 23 25 1 0 0 0 0 24 26 1 0 0 0 0 24 27 1 0 0 0 0 24 28 1 0 0 0 0 25 29 1 0 0 0 0 25 30 1 0 0 0 0 28 31 1 0 0 0 0 5 8 1 0 0 0 0 10 15 1 0 0 0 0 12 18 2 0 0 0 0 25 28 1 0 0 0 0 M CHG 2 5 1 12 1 M END