NCI:326205 BBtclserve11129919042D 0 0.00000 0.00000174527 999-99-9 59 68 0 0 0 0 0 0 0 0 2 V2000 5.0361 2.7670 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.0416 2.8715 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9316 1.7725 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1406 3.7615 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0306 2.6625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4374 1.7489 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6184 3.4715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0306 0.8354 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4319 1.6444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6129 3.3670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7738 0.1663 0.0000 Cr 0 0 0 0 0 0 0 0 0 0 0 0 7.6398 0.6663 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 8.0197 2.4534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2007 4.1760 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 5.9078 0.6663 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.5659 -0.8119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7738 -0.8337 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.6398 0.6663 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.5058 0.1663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7940 5.0895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1952 4.0715 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.1646 -0.0029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9077 1.6663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5713 -0.9164 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6398 -1.3337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6398 1.6663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5058 -0.8337 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1701 0.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7738 2.1663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -1.7254 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8477 -2.3119 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3829 2.3354 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2490 -1.5029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9817 3.1444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3903 -2.6390 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 -1.6209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8422 -2.4164 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4699 -3.2378 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9762 3.2489 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3611 2.1275 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2271 -1.2950 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.6029 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 6.3125 3.8875 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4768 -3.0457 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7970 -3.5525 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3039 -2.2322 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0830 -4.0279 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4791 -3.3734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6701 1.1764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0302 2.8706 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4119 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1810 0.3107 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7051 -4.9538 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1013 -4.2993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6483 0.9685 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0084 2.6627 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7143 -5.0895 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3174 1.7117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 4 1 0 0 0 0 1 5 1 0 0 0 0 5 6 2 0 0 0 0 5 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 10 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 19 2 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 2 0 0 0 0 16 24 1 0 0 0 0 17 25 2 0 0 0 0 18 26 2 0 0 0 0 19 27 1 0 0 0 0 22 28 2 0 0 0 0 23 29 1 0 0 0 0 24 30 2 0 0 0 0 25 31 1 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 28 34 1 0 0 0 0 29 35 1 0 0 0 0 30 36 1 0 0 0 0 30 37 1 0 0 0 0 31 38 1 0 0 0 0 31 39 1 0 0 0 0 32 40 1 0 0 0 0 32 41 1 0 0 0 0 33 42 1 0 0 0 0 34 43 1 0 0 0 0 35 44 1 0 0 0 0 36 45 2 0 0 0 0 36 46 2 0 0 0 0 36 47 1 0 0 0 0 39 48 2 0 0 0 0 39 49 1 0 0 0 0 41 50 2 0 0 0 0 41 51 1 0 0 0 0 43 52 2 0 0 0 0 43 53 1 0 0 0 0 48 54 1 0 0 0 0 49 55 2 0 0 0 0 50 56 1 0 0 0 0 51 57 2 0 0 0 0 54 58 2 0 0 0 0 56 59 2 0 0 0 0 11 12 1 0 0 0 0 10 13 1 0 0 0 0 22 24 1 0 0 0 0 25 27 1 0 0 0 0 26 29 1 0 0 0 0 34 37 2 0 0 0 0 33 38 2 0 0 0 0 35 40 2 0 0 0 0 55 58 1 0 0 0 0 57 59 1 0 0 0 0 M CHG 8 12 1 14 1 15 1 17 1 18 1 21 -1 43 1 53 -1 M END