NCI:174301 BBtclserve11129918072D 0 0.00000 0.00000128482 999-99-9 77 80 0 0 0 0 0 0 0 0 2 V2000 4.8173 0.3520 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8782 0.6957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1609 1.2911 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4736 -0.5870 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 5.7564 0.0084 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9391 1.0393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2218 1.6348 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.5345 -0.2434 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5235 0.6498 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 5.9283 -0.9767 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3830 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.2828 1.9784 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.5954 0.1002 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 7.4626 0.3061 0.0000 Zr 0 0 0 0 0 0 0 0 0 0 0 0 6.8674 -1.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4017 -0.0375 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.4017 -0.0375 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 10.3725 -1.3738 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 8.6404 -1.3739 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.2907 1.2913 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.2907 1.2913 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.6347 -0.6789 0.0000 O 0 3 0 0 0 0 0 0 0 0 0 0 7.0394 -2.3055 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1689 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1689 0.6039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3725 -2.3738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6404 -2.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0579 1.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0579 1.9327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2114 -3.2906 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0544 -2.4775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0245 -2.1335 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5289 0.5864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 1.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0349 0.1039 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9970 1.5890 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1397 -3.0153 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5065 -2.8738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7744 -2.8739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4327 4.0802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7191 2.8736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5288 0.5811 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5341 1.5863 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5236 -0.4136 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.9740 -0.2397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6913 -0.8352 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.3786 1.0430 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9068 -3.6567 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4982 -3.7825 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.7811 -2.2481 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.9084 -3.3739 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2744 -2.0078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2744 -3.7399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6046 5.0654 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4918 4.4191 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4178 3.9083 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2237 3.7422 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7783 2.5348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6600 3.2123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5288 0.5759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5236 -0.4189 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.5341 1.5811 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.9131 -0.5834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6304 -1.1788 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.3177 0.6994 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.6740 -4.2982 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2654 -4.4239 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.5483 -2.8896 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.5288 0.5707 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.5341 1.5759 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 14.5236 -0.4241 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.8522 -0.9270 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 11.5695 -1.5225 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.2568 0.3557 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.4412 -4.9396 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 13.3154 -3.5310 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 12.0326 -5.0654 0.0000 F 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 1 4 1 0 0 0 0 1 5 1 0 0 0 0 2 6 1 0 0 0 0 2 7 1 0 0 0 0 2 8 1 0 0 0 0 5 9 2 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 18 1 0 0 0 0 14 19 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 22 1 0 0 0 0 15 23 1 0 0 0 0 16 24 2 0 0 0 0 17 25 2 0 0 0 0 18 26 2 0 0 0 0 19 27 2 0 0 0 0 20 28 2 0 0 0 0 21 29 2 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 23 32 1 0 0 0 0 24 33 1 0 0 0 0 24 34 1 0 0 0 0 25 35 1 0 0 0 0 25 36 1 0 0 0 0 26 37 1 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 28 40 1 0 0 0 0 29 41 1 0 0 0 0 33 42 1 0 0 0 0 33 43 1 0 0 0 0 33 44 1 0 0 0 0 35 45 1 0 0 0 0 35 46 1 0 0 0 0 35 47 1 0 0 0 0 37 48 1 0 0 0 0 37 49 1 0 0 0 0 37 50 1 0 0 0 0 39 51 1 0 0 0 0 39 52 1 0 0 0 0 39 53 1 0 0 0 0 40 54 1 0 0 0 0 40 55 1 0 0 0 0 40 56 1 0 0 0 0 41 57 1 0 0 0 0 41 58 1 0 0 0 0 41 59 1 0 0 0 0 42 60 1 0 0 0 0 42 61 1 0 0 0 0 42 62 1 0 0 0 0 45 63 1 0 0 0 0 45 64 1 0 0 0 0 45 65 1 0 0 0 0 48 66 1 0 0 0 0 48 67 1 0 0 0 0 48 68 1 0 0 0 0 60 69 1 0 0 0 0 60 70 1 0 0 0 0 60 71 1 0 0 0 0 63 72 1 0 0 0 0 63 73 1 0 0 0 0 63 74 1 0 0 0 0 66 75 1 0 0 0 0 66 76 1 0 0 0 0 66 77 1 0 0 0 0 15 22 2 0 0 0 0 29 34 1 0 0 0 0 28 36 1 0 0 0 0 27 38 1 0 0 0 0 M CHG 8 9 1 16 1 17 1 18 1 19 1 20 1 21 1 22 1 M END $$$$