NCI:676589 BBtclserve11129920162D 0 0.00000 0.00000238456 999-99-9 44 48 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 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 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 8.9385 2.9831 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3644 1.7135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4983 1.2135 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4983 0.2135 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.3644 -0.2865 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.2304 0.2136 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.2304 1.2136 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.1564 2.6917 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.1619 2.7962 0.0000 C 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 17.0964 1.7136 0.0000 N 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 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 7.8145 -3.3565 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 19.0964 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 4 11 1 0 0 0 0 9 12 1 0 0 0 0 3 13 1 0 0 0 0 8 14 2 0 0 0 0 8 15 1 0 0 0 0 2 16 1 0 0 0 0 16 17 1 0 0 0 0 13 18 1 0 0 0 0 18 19 1 0 0 0 0 18 20 2 0 0 0 0 3 21 1 0 0 0 0 19 22 1 0 0 0 0 22 24 1 0 0 0 0 24 25 1 0 0 0 0 25 26 1 0 0 0 0 23 27 1 0 0 0 0 25 28 1 0 0 0 0 18 29 1 0 0 0 0 30 31 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 33 34 2 0 0 0 0 30 35 2 0 0 0 0 30 36 1 0 0 0 0 36 37 2 0 0 0 0 27 38 1 0 0 0 0 35 39 1 0 0 0 0 5 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 3 0 0 0 0 10 11 1 0 0 0 0 6 11 1 0 0 0 0 9 14 1 0 0 0 0 4 21 1 0 0 0 0 23 24 1 0 0 0 0 26 27 1 0 0 0 0 34 35 1 0 0 0 0 37 38 1 0 0 0 0 31 38 1 0 0 0 0 10 40 2 0 0 0 0 M CHG 3 40 1 41 3 42 -1 M END