B1E0BF -OEChem-04042105253D 91 94 0 1 0 0 0 0 0999 V2000 -2.9198 0.1335 -2.2537 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0682 3.0025 -0.3168 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3309 3.6528 1.1637 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6472 5.6669 0.2451 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.1971 -2.8531 1.2386 N 0 0 3 0 0 0 0 0 0 0 0 0 3.3159 -5.4072 -0.7457 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7309 1.9999 -0.8906 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3101 2.5324 1.4593 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5871 -4.0635 0.5426 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8689 -5.3451 -0.5410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0518 -5.2804 1.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2170 -3.9665 -0.9401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5564 -5.3825 0.9581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2871 -4.0875 -1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1312 -2.9444 2.6593 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1269 -1.6248 0.5731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6298 -5.4419 -2.1739 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8784 -6.5765 -0.0707 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2541 -1.0783 -0.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1767 -1.6309 3.3520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0903 -0.9451 0.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1640 0.1478 -0.6996 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1805 0.2811 -0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5604 -1.8080 0.0093 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0532 0.8274 -0.7449 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4430 0.9859 -0.1787 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3239 0.7430 -1.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3607 0.8427 0.8620 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7435 1.8071 -1.2654 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8752 2.7087 -1.4172 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5789 1.5206 0.8159 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9616 2.4850 -1.3117 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8793 2.3417 -0.2709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0945 2.3185 -0.6658 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0812 1.5059 -1.1021 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1975 2.8980 0.7250 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2087 1.1879 -0.2395 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2979 1.6966 0.9970 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1528 0.8647 -2.4603 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6534 3.3732 0.9307 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4285 1.4099 1.9324 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4846 4.6264 0.7344 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3714 6.8756 0.0629 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6706 -4.1985 0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3918 -6.2211 -1.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1607 -5.3897 2.2820 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4107 -6.1726 0.7681 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5968 -3.0898 -1.4664 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7004 -4.8140 -1.4479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1004 -4.5871 1.4771 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8672 -6.3302 1.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4093 -4.1140 -2.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8176 -3.1982 -0.8430 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4962 -3.6839 3.1653 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1840 -3.1932 2.8177 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7018 -5.6171 -2.3265 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0867 -6.2325 -2.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4357 -4.4810 -2.6598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9126 -6.4466 1.0156 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3452 -7.5026 -0.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9275 -6.7172 -0.3596 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5266 -0.8331 3.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1956 -1.2841 3.1471 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0966 -1.7679 4.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9611 -1.4133 0.9808 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4094 -1.1154 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6725 -2.5003 -0.8288 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7011 -2.3345 0.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0870 1.7930 -1.2438 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2161 2.4353 -0.1303 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1601 0.2353 1.7403 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0751 1.9245 -2.1139 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6762 3.7814 -1.3145 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9440 2.5163 -2.4902 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2735 1.3655 1.6361 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1938 3.1180 -2.1638 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9790 0.5253 -0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4081 2.9036 2.4001 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0871 1.1404 -2.9629 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1242 -0.2267 -2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3405 1.1512 -3.1300 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8791 3.6053 1.6735 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2868 2.5568 1.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0577 0.9357 2.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1685 0.7378 1.4851 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9431 2.3368 2.2067 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2739 4.4347 -0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9407 4.9261 1.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6824 7.6360 -0.3146 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1727 6.7365 -0.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7857 7.2219 1.0147 H 0 0 0 0 0 0 0 0 0 0 0 0 1 27 2 0 0 0 0 2 33 1 0 0 0 0 2 40 1 0 0 0 0 3 36 2 0 0 0 0 4 42 1 0 0 0 0 4 43 1 0 0 0 0 5 9 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 6 10 1 0 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 27 1 0 0 0 0 7 30 1 0 0 0 0 7 70 1 0 0 0 0 8 36 1 0 0 0 0 8 38 1 0 0 0 0 8 78 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 44 1 0 0 0 0 10 13 1 0 0 0 0 10 14 1 0 0 0 0 10 45 1 0 0 0 0 11 13 1 0 0 0 0 11 46 1 0 0 0 0 11 47 1 0 0 0 0 12 14 1 0 0 0 0 12 48 1 0 0 0 0 12 49 1 0 0 0 0 13 50 1 0 0 0 0 13 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 20 1 0 0 0 0 15 54 1 0 0 0 0 15 55 1 0 0 0 0 16 19 1 0 0 0 0 16 21 2 0 0 0 0 17 56 1 0 0 0 0 17 57 1 0 0 0 0 17 58 1 0 0 0 0 18 59 1 0 0 0 0 18 60 1 0 0 0 0 18 61 1 0 0 0 0 19 22 2 0 0 0 0 19 24 1 0 0 0 0 20 62 1 0 0 0 0 20 63 1 0 0 0 0 20 64 1 0 0 0 0 21 23 1 0 0 0 0 21 65 1 0 0 0 0 22 25 1 0 0 0 0 22 27 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 66 1 0 0 0 0 24 67 1 0 0 0 0 24 68 1 0 0 0 0 25 69 1 0 0 0 0 26 28 2 0 0 0 0 26 29 1 0 0 0 0 28 31 1 0 0 0 0 28 71 1 0 0 0 0 29 32 2 0 0 0 0 29 72 1 0 0 0 0 30 34 1 0 0 0 0 30 73 1 0 0 0 0 30 74 1 0 0 0 0 31 33 2 0 0 0 0 31 75 1 0 0 0 0 32 33 1 0 0 0 0 32 76 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 39 1 0 0 0 0 37 38 2 0 0 0 0 37 77 1 0 0 0 0 38 41 1 0 0 0 0 39 79 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 42 1 0 0 0 0 40 82 1 0 0 0 0 40 83 1 0 0 0 0 41 84 1 0 0 0 0 41 85 1 0 0 0 0 41 86 1 0 0 0 0 42 87 1 0 0 0 0 42 88 1 0 0 0 0 43 89 1 0 0 0 0 43 90 1 0 0 0 0 43 91 1 0 0 0 0 M END $$$$