NCI:652538 BBtclserve11129920052D 0 0.00000 0.00000227571 999-99-9 39 45 0 0 0 0 0 0 0 0 2 V2000 6.5483 -1.6781 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5096 -1.4025 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5445 -0.4031 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6048 -0.0611 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9891 -0.8491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0445 2.4325 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.2784 1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4304 2.3196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 3.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6699 3.3597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8105 1.7897 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9842 0.8049 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 9.9745 0.6658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4128 1.5646 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6935 2.2592 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.7598 3.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5478 3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4750 3.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6142 4.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8262 4.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8990 4.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5032 1.9450 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7152 2.5607 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7880 2.1861 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.8017 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1392 3.7920 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0664 4.1666 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8544 3.5510 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2976 -2.0182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1584 -3.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2313 -3.3830 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0921 -4.3733 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8801 -4.9890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8073 -4.6144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9465 -3.6241 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1048 0.8049 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 8.4842 -0.0611 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 8.0445 2.4325 0.0000 Au 0 0 0 0 0 0 0 0 0 0 0 0 9.8326 3.2495 0.0000 C 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 3 4 2 0 0 0 0 1 5 2 0 0 0 0 6 7 2 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 6 10 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 11 15 1 0 0 0 0 16 17 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 16 21 2 0 0 0 0 8 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 2 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 23 28 2 0 0 0 0 2 29 1 0 0 0 0 29 30 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 4 36 1 0 0 0 0 3 37 1 0 0 0 0 6 38 1 0 0 0 0 15 39 1 0 0 0 0 4 5 1 0 0 0 0 9 10 2 0 0 0 0 14 15 1 0 0 0 0 20 21 1 0 0 0 0 27 28 1 0 0 0 0 34 35 1 0 0 0 0 7 36 1 0 0 0 0 12 37 1 0 0 0 0 11 38 1 0 0 0 0 16 39 1 0 0 0 0 M CHG 3 4 1 6 1 12 1 M END