NCI:676587 BBtclserve11129920162D 0 0.00000 0.00000238454 999-99-9 42 45 0 0 0 0 0 0 0 0 2 V2000 5.2704 1.3885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 2.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 1.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8581 0.5795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -0.1806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.6806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -2.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -1.9896 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.1369 -1.1806 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 -0.3716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -3.1806 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8582 -2.9407 0.0000 B 0 1 0 0 0 0 0 0 0 0 0 0 6.8363 -3.1486 0.0000 C 0 5 0 0 0 0 0 0 0 0 0 0 7.6182 2.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.1806 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5491 3.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5710 3.3565 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 2.0696 0.0000 P 0 0 0 0 0 0 0 0 0 0 0 0 9.4453 1.6628 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1250 1.1560 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8092 0.8885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2543 2.2506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0339 2.3439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1679 1.8439 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3758 0.8657 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3703 0.7612 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7770 1.6748 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7067 0.1226 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7552 1.8827 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.4243 1.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4025 1.3474 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7115 2.2985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0423 3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0642 2.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.1153 0.1885 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9385 2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6896 2.5064 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8145 -3.3565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 18.6896 0.0000 0.0000 Na 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 1 4 1 0 0 0 0 5 6 1 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 10 11 2 0 0 0 0 4 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 14 15 1 0 0 0 0 3 16 1 0 0 0 0 8 17 2 0 0 0 0 8 18 1 0 0 0 0 2 19 1 0 0 0 0 19 20 1 0 0 0 0 16 21 1 0 0 0 0 21 22 1 0 0 0 0 21 23 2 0 0 0 0 3 24 1 0 0 0 0 22 25 1 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 26 30 1 0 0 0 0 28 31 1 0 0 0 0 30 32 1 0 0 0 0 32 33 1 0 0 0 0 33 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 32 37 1 0 0 0 0 33 38 2 0 0 0 0 21 39 1 0 0 0 0 35 40 2 0 0 0 0 15 41 3 0 0 0 0 11 12 1 0 0 0 0 6 12 1 0 0 0 0 9 17 1 0 0 0 0 4 24 1 0 0 0 0 26 27 1 0 0 0 0 29 30 1 0 0 0 0 36 37 2 0 0 0 0 M CHG 3 10 1 14 3 15 -1 M END