NCI:617347 BBtclserve11129919372D 0 0.00000 0.00000209626 999-99-9 75 77 0 0 0 0 0 0 0 0 1 V2000 8.2867 -5.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9777 -6.7614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6468 -7.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3378 -8.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0069 -9.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 -5.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9266 -4.1161 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6394 -5.2751 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9703 -4.5319 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9921 -4.7398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -5.6909 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -5.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7321 -6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6831 -7.3089 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2709 -6.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -5.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -5.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -6.9999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -7.4999 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2793 -3.5809 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6101 -2.8377 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2574 -3.3730 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5664 -2.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8973 -1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5446 -2.2140 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2137 -2.9571 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8536 -1.2629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8317 -1.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5009 -1.7982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4790 -1.5902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1919 -2.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1408 -0.1040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4716 0.6392 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1189 0.1040 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4279 1.0550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4061 1.2629 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0752 0.5198 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.7151 2.2140 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6932 2.4219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.3624 1.6788 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3405 1.8867 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.0096 1.1435 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.9878 1.3515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.2968 2.3025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.6277 3.0456 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.6495 2.8377 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0022 3.3730 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9804 3.5809 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.3331 4.1161 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.6421 5.0672 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2648 -5.6024 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.9340 -6.3455 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6249 -7.2966 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9121 -6.1376 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2211 -5.1866 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5812 -6.8808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5594 -6.6728 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2285 -7.4160 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8684 -5.7218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.6203 5.2751 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9293 6.2261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9074 6.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2601 6.9693 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9730 5.8103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9948 5.6024 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.2820 6.7614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.6129 7.5045 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9219 8.4556 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2527 9.1987 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.9000 8.6635 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6347 7.2966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9656 8.0397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9874 7.8318 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.3183 8.5750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3596 -8.6635 0.0000 N 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 1 0 0 0 0 4 5 2 0 0 0 0 1 6 1 0 0 0 0 6 7 2 0 0 0 0 6 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 11 15 2 0 0 0 0 12 16 1 0 0 0 0 16 17 2 0 0 0 0 17 18 1 0 0 0 0 13 19 1 0 0 0 0 9 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 22 23 1 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 28 32 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 34 35 1 0 0 0 0 35 36 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 38 39 1 0 0 0 0 39 40 1 0 0 0 0 40 41 1 0 0 0 0 41 42 1 0 0 0 0 42 43 2 0 0 0 0 43 44 1 0 0 0 0 44 45 2 0 0 0 0 41 46 2 0 0 0 0 39 47 1 0 0 0 0 47 48 2 0 0 0 0 47 49 1 0 0 0 0 49 50 1 0 0 0 0 1 51 1 0 0 0 0 51 52 1 0 0 0 0 52 53 2 0 0 0 0 52 54 1 0 0 0 0 54 55 1 0 0 0 0 54 56 1 0 0 0 0 56 57 1 0 0 0 0 57 58 2 0 0 0 0 57 59 1 0 0 0 0 50 60 1 0 0 0 0 60 61 1 0 0 0 0 61 62 1 0 0 0 0 61 63 1 0 0 0 0 50 64 1 0 0 0 0 64 65 2 0 0 0 0 64 66 1 0 0 0 0 66 67 1 0 0 0 0 67 68 1 0 0 0 0 68 69 2 0 0 0 0 68 70 1 0 0 0 0 67 71 1 0 0 0 0 71 72 1 0 0 0 0 72 73 1 0 0 0 0 73 74 1 0 0 0 0 4 75 1 0 0 0 0 14 15 1 0 0 0 0 18 19 2 0 0 0 0 45 46 1 0 0 0 0 M END