NCI:647050 BBtclserve11129920022D 0 0.00000 0.00000225184 999-99-9 86 93 0 0 0 0 0 0 0 0 3 V2000 5.9976 5.1659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3560 4.2323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7266 3.4552 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7390 3.6116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3806 4.5452 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0099 5.3223 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0850 2.5216 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0727 2.3652 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.6814 2.2976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9402 1.3317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 1.3317 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.0742 0.8317 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5742 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5742 -1.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0742 -1.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9402 -2.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9402 -2.4004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8062 -1.9004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3062 -1.0344 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 6.5133 -2.6075 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2545 -3.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3951 -0.1637 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.2886 -3.8322 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5815 -3.1251 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0298 -4.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0638 -5.0570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6156 -3.3839 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3567 -4.3499 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7933 5.7436 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5345 4.7776 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2416 4.0705 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2075 4.3294 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4663 5.2953 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7592 6.0024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9828 3.1046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6899 2.3975 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 9.0264 4.0390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 3.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0605 2.7802 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.5605 4.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6945 5.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 5.1462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 4.6462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3284 3.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3284 2.7802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8284 1.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6945 1.4142 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 4.1213 1.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3801 0.2412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5306 -0.4679 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 3.6730 -0.4660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7071 -0.2071 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9319 -1.4319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2247 -2.1390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9142 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2588 -1.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3667 6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5895 5.4082 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7460 4.4205 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6795 4.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4567 4.6915 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3002 5.6791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0518 3.0486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2082 2.0609 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 9.9701 2.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9701 1.8975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 1.6387 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 10.9361 1.6387 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6432 0.9316 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9020 -0.0344 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6432 -1.0003 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9361 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9701 -1.9662 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -1.7074 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2971 -1.0003 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.5042 -2.5734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -3.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9134 -0.5003 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.5042 -4.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -4.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0042 -5.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5042 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0042 -5.1715 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5042 -6.0375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4311 1.4316 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 7.1722 0.4656 0.0000 Nd 0 1 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 2 0 0 0 0 3 4 1 0 0 0 0 4 5 2 0 0 0 0 1 6 2 0 0 0 0 3 7 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 12 13 1 0 0 0 0 13 14 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 20 21 2 0 0 0 0 21 22 1 0 0 0 0 21 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 25 26 1 0 0 0 0 24 27 2 0 0 0 0 26 28 2 0 0 0 0 29 30 2 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 29 34 1 0 0 0 0 31 35 1 0 0 0 0 35 36 1 0 0 0 0 35 37 2 0 0 0 0 37 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 1 0 0 0 0 43 44 1 0 0 0 0 44 45 1 0 0 0 0 45 46 1 0 0 0 0 46 47 2 0 0 0 0 46 48 1 0 0 0 0 48 49 2 0 0 0 0 49 50 1 0 0 0 0 49 51 1 0 0 0 0 51 52 1 0 0 0 0 51 53 2 0 0 0 0 53 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