NCI:377526 BBtclserve11129919202D 0 0.00000 0.00000188648 53714-56-0 87 92 0 0 0 0 0 0 0 0 1 V2000 4.9921 -6.1356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 -5.9277 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -7.0866 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 -6.6708 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 -4.9766 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -7.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -7.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 -6.4629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 -4.7687 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 -4.2335 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -8.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -6.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -8.7047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2867 -7.2060 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 -5.5118 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 -3.8176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -8.8957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -7.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 -8.1571 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 -6.9981 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -3.6097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 -3.0745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -8.3957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 -8.9002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5738 -6.0471 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 -2.6587 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 -4.3529 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2063 -2.1234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6413 -8.7957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4389 -9.8784 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9047 -5.3039 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5520 -5.8392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 -2.4508 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0481 -9.7093 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3049 -10.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9587 -4.9256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2951 -6.5083 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 -3.1939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 -1.4997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9532 -5.0301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1612 -6.0083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 -2.9860 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 -0.7566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1189 -1.2918 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0747 -6.4150 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1482 -3.7291 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7880 -2.0349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7806 0.1945 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1263 -3.5212 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7662 -1.8270 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1115 0.9376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7588 0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4353 -2.5701 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4205 1.8887 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1334 0.7297 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0678 1.3535 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.4135 -2.3622 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7514 2.6318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0459 1.5614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3987 2.0966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0604 3.5829 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 2.4239 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3913 4.3260 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0385 3.7908 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1041 3.1671 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7003 5.2771 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1260 2.9592 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4131 4.1181 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0311 6.0202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6784 5.4850 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0530 5.8123 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 6.9713 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9874 6.4361 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7524 7.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2912 7.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9656 6.6440 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 7.7803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3402 8.5893 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2912 8.2803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6347 5.9008 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 8.6463 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 6.9143 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.6129 6.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7524 9.5124 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2820 5.3656 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.9219 7.0598 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2524 10.3784 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 3 6 1 0 0 0 0 3 7 2 0 0 0 0 4 8 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 13 1 0 0 0 0 8 14 1 0 0 0 0 8 15 2 0 0 0 0 9 16 1 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 16 21 1 0 0 0 0 16 22 1 0 0 0 0 17 23 2 0 0 0 0 19 24 1 0 0 0 0 20 25 1 0 0 0 0 21 26 1 0 0 0 0 21 27 2 0 0 0 0 22 28 1 0 0 0 0 24 29 2 0 0 0 0 24 30 1 0 0 0 0 25 31 2 0 0 0 0 25 32 1 0 0 0 0 26 33 1 0 0 0 0 29 34 1 0 0 0 0 30 35 2 0 0 0 0 32 36 1 0 0 0 0 32 37 1 0 0 0 0 33 38 1 0 0 0 0 33 39 1 0 0 0 0 36 40 1 0 0 0 0 37 41 1 0 0 0 0 38 42 1 0 0 0 0 39 43 1 0 0 0 0 39 44 2 0 0 0 0 41 45 2 0 0 0 0 42 46 2 0 0 0 0 42 47 1 0 0 0 0 43 48 1 0 0 0 0 46 49 1 0 0 0 0 47 50 2 0 0 0 0 48 51 1 0 0 0 0 48 52 1 0 0 0 0 49 53 2 0 0 0 0 51 54 1 0 0 0 0 51 55 2 0 0 0 0 52 56 1 0 0 0 0 53 57 1 0 0 0 0 54 58 1 0 0 0 0 56 59 1 0 0 0 0 56 60 1 0 0 0 0 58 61 1 0 0 0 0 58 62 1 0 0 0 0 61 63 1 0 0 0 0 61 64 2 0 0 0 0 62 65 1 0 0 0 0 63 66 1 0 0 0 0 65 67 1 0 0 0 0 65 68 1 0 0 0 0 66 69 1 0 0 0 0 66 70 1 0 0 0 0 69 71 2 0 0 0 0 69 72 1 0 0 0 0 70 73 1 0 0 0 0 72 74 1 0 0 0 0 72 75 1 0 0 0 0 73 76 1 0 0 0 0 74 77 1 0 0 0 0 74 78 1 0 0 0 0 75 79 1 0 0 0 0 76 80 1 0 0 0 0 77 81 1 0 0 0 0 77 82 2 0 0 0 0 80 83 1 0 0 0 0 81 84 1 0 0 0 0 83 85 2 0 0 0 0 83 86 1 0 0 0 0 84 87 1 0 0 0 0 11 13 1 0 0 0 0 18 23 1 0 0 0 0 34 35 1 0 0 0 0 40 41 1 0 0 0 0 50 53 1 0 0 0 0 78 79 1 0 0 0 0 M END