BI3KQ5 -OEChem-04022115193D 82 85 0 1 0 0 0 0 0999 V2000 -4.6847 2.8625 0.6031 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6750 1.2582 1.8690 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1487 0.6502 -0.6554 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 -2.9390 -0.9582 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3996 0.4182 -2.0805 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4925 -2.3131 -0.9791 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5007 0.9154 0.0232 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9157 0.6073 -0.7345 C 0 0 1 0 0 0 0 0 0 0 0 0 1.1009 -0.4448 0.5413 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6276 -0.4701 0.9920 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8109 -0.3427 0.1020 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2840 -0.4660 -0.3376 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5143 1.5904 -0.9359 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4985 0.3176 -0.0488 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.9575 0.9161 -0.5230 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6764 1.9436 -1.0132 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1314 -1.0784 1.5593 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9196 1.7047 -0.3590 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1235 1.7811 -1.4871 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2569 1.8934 1.2124 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3040 -1.0551 1.1271 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1786 -1.4097 0.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6860 -0.0852 -2.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3834 0.7604 -1.0938 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9784 0.4781 0.3310 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6214 -1.5647 -0.0329 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -1.9569 0.9865 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8836 0.0395 2.4283 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2581 -0.1805 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0733 1.6672 0.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1561 1.7973 1.0981 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4291 -0.6852 1.2230 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5693 -2.3182 -1.3768 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4811 -2.3994 0.9377 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8279 0.5080 -0.9380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4193 -2.4001 -0.4015 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0652 -1.0942 -0.3350 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2300 -0.9342 -1.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1640 2.5906 -1.2176 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6054 1.0240 -1.8678 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4107 -0.1906 -1.0138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7324 2.5623 -0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1314 2.5376 -1.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3845 -2.1289 1.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2037 -0.5849 2.5345 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8651 2.3603 0.5128 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5346 2.2187 -1.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1285 1.3331 -2.4886 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5637 2.7787 -1.6126 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1430 2.0927 1.8052 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0220 2.8900 0.8532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5328 1.5579 1.8899 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9445 -1.7046 1.7153 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2264 -1.0704 1.5488 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7192 -2.4074 0.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6212 -0.3795 -2.5984 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0880 -0.9969 -2.0327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1923 0.5839 -2.8242 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3278 0.3868 -2.1237 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8943 1.7285 -1.1717 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8708 -2.2754 1.6789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2871 -2.6079 1.3438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2591 0.8922 2.6732 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8632 0.3540 2.7583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5739 -0.7332 3.1458 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4647 0.2894 0.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2320 -0.2899 -0.7565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4231 2.0225 1.8725 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1307 1.8098 1.6048 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1974 2.6594 0.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0480 -0.8591 2.2208 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4693 -0.4364 1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6300 -1.6219 0.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1124 -3.3071 -1.2524 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0050 -1.7983 -2.1545 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5801 -2.4772 -1.7713 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0495 -3.3944 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4994 -2.5287 0.5547 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5520 -1.9104 1.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7698 3.3641 1.4418 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6963 0.6701 -1.4689 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4646 -3.2433 -1.8768 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 80 1 0 0 0 0 2 30 2 0 0 0 0 3 35 1 0 0 0 0 3 81 1 0 0 0 0 4 36 1 0 0 0 0 4 82 1 0 0 0 0 5 35 2 0 0 0 0 6 36 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 20 1 0 0 0 0 8 11 1 0 0 0 0 8 16 1 0 0 0 0 8 23 1 0 0 0 0 9 10 1 0 0 0 0 9 17 1 0 0 0 0 9 37 1 0 0 0 0 10 14 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 21 2 0 0 0 0 12 15 1 0 0 0 0 12 22 1 0 0 0 0 12 38 1 0 0 0 0 13 18 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 14 18 1 0 0 0 0 14 25 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 24 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 16 42 1 0 0 0 0 16 43 1 0 0 0 0 17 21 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 19 49 1 0 0 0 0 20 50 1 0 0 0 0 20 51 1 0 0 0 0 20 52 1 0 0 0 0 21 53 1 0 0 0 0 22 26 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 56 1 0 0 0 0 23 57 1 0 0 0 0 23 58 1 0 0 0 0 24 29 1 0 0 0 0 24 59 1 0 0 0 0 24 60 1 0 0 0 0 25 31 1 0 0 0 0 25 32 1 0 0 0 0 25 35 1 0 0 0 0 26 29 1 0 0 0 0 26 33 1 0 0 0 0 26 34 1 0 0 0 0 27 36 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 63 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 66 1 0 0 0 0 29 67 1 0 0 0 0 31 68 1 0 0 0 0 31 69 1 0 0 0 0 31 70 1 0 0 0 0 32 71 1 0 0 0 0 32 72 1 0 0 0 0 32 73 1 0 0 0 0 33 74 1 0 0 0 0 33 75 1 0 0 0 0 33 76 1 0 0 0 0 34 77 1 0 0 0 0 34 78 1 0 0 0 0 34 79 1 0 0 0 0 M END $$$$