BE1I0W -OEChem-04042103153D 78 81 0 1 0 0 0 0 0999 V2000 -4.1674 -1.5202 -1.1847 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.8087 -0.7795 -0.1885 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3637 -2.0728 -1.7733 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0063 -1.2101 -1.9840 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9778 -2.9319 -1.0102 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4401 4.2588 0.0505 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8620 0.1353 1.1401 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6869 -2.4935 0.7731 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8646 4.9221 2.6103 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8311 6.3290 1.1472 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6779 -2.5339 0.1215 N 0 0 1 0 0 0 0 0 0 0 0 0 -5.9147 -0.0613 0.0893 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5301 2.0829 1.1200 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3831 -2.1950 0.7921 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9685 -3.3247 1.7371 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0602 -3.6350 2.7546 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7679 -2.7899 1.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3755 -3.9325 2.0458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3196 -2.0425 -0.2425 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2273 -0.4943 -1.1337 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.6182 -0.0728 -0.2840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5818 -0.8913 -0.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1137 0.9649 -1.5076 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7929 -0.7152 -1.4456 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7286 0.9423 0.0033 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 -1.1857 -0.8539 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3310 1.9500 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2088 1.3274 -2.8154 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2980 1.0307 0.7781 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2455 2.0057 0.7149 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2258 3.2977 -0.8889 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3143 2.6749 -3.1599 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8910 -0.3017 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5112 -2.5052 -1.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0969 3.6600 -2.1967 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7252 1.0803 1.2067 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0975 -0.7371 0.4258 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7178 -2.9406 -0.4894 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5109 -2.0566 0.2423 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3536 3.9471 1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3671 1.4656 1.2805 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0366 -3.8565 0.5395 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0161 5.2053 1.5900 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4988 -1.2724 1.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0432 -3.0554 2.2611 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7479 -4.2387 1.1693 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7647 -4.4931 3.3683 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1879 -2.7820 3.4319 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6937 -3.0655 0.6031 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9520 -1.8959 1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2757 -4.8591 1.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1658 -4.0976 2.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0778 -1.0888 -2.0451 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7510 -0.3432 0.4164 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5279 -1.9438 -0.2091 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8954 0.3388 -1.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6133 -1.2553 -2.3846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6975 0.9344 -0.3127 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5429 1.6460 0.4765 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3823 0.5721 -3.5771 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6226 2.8523 0.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5658 2.9571 -4.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5157 0.7102 -0.0106 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8998 -3.2029 -1.6037 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1800 4.7081 -2.4709 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8564 1.7553 2.0582 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0712 0.0859 1.5056 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3472 1.4354 0.3799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9748 -3.9784 -0.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1596 3.2889 0.7536 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8006 3.4972 1.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1006 2.0208 1.8746 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4244 1.4894 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2932 1.9735 0.3128 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9990 -4.0311 1.0317 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1838 -4.0583 -0.5270 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3161 -4.5423 0.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3115 5.7270 2.9490 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 11 1 0 0 0 0 1 21 1 0 0 0 0 2 19 1 0 0 0 0 2 20 1 0 0 0 0 5 19 2 0 0 0 0 6 31 1 0 0 0 0 6 40 1 0 0 0 0 7 37 1 0 0 0 0 7 41 1 0 0 0 0 8 39 1 0 0 0 0 8 42 1 0 0 0 0 9 43 1 0 0 0 0 9 78 1 0 0 0 0 10 43 2 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 21 2 0 0 0 0 12 29 1 0 0 0 0 13 29 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 14 19 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 18 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 20 22 1 0 0 0 0 20 23 1 0 0 0 0 20 53 1 0 0 0 0 21 25 1 0 0 0 0 22 24 1 0 0 0 0 22 54 1 0 0 0 0 22 55 1 0 0 0 0 23 27 2 0 0 0 0 23 28 1 0 0 0 0 24 26 1 0 0 0 0 24 56 1 0 0 0 0 24 57 1 0 0 0 0 25 30 2 0 0 0 0 25 58 1 0 0 0 0 26 33 2 0 0 0 0 26 34 1 0 0 0 0 27 31 1 0 0 0 0 27 59 1 0 0 0 0 28 32 2 0 0 0 0 28 60 1 0 0 0 0 29 36 1 0 0 0 0 30 61 1 0 0 0 0 31 35 2 0 0 0 0 32 35 1 0 0 0 0 32 62 1 0 0 0 0 33 37 1 0 0 0 0 33 63 1 0 0 0 0 34 38 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 66 1 0 0 0 0 36 67 1 0 0 0 0 36 68 1 0 0 0 0 37 39 2 0 0 0 0 38 39 1 0 0 0 0 38 69 1 0 0 0 0 40 43 1 0 0 0 0 40 70 1 0 0 0 0 40 71 1 0 0 0 0 41 72 1 0 0 0 0 41 73 1 0 0 0 0 41 74 1 0 0 0 0 42 75 1 0 0 0 0 42 76 1 0 0 0 0 42 77 1 0 0 0 0 M END $$$$