BD8H7U -OEChem-04022107563D 36 38 0 0 0 0 0 0 0999 V2000 -5.5120 -0.9221 0.2746 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7095 -0.3275 -0.3058 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 -2.2702 -0.1165 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3884 -1.4021 -0.1965 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8897 0.5421 0.0779 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0019 1.2314 0.4374 N 0 0 0 0 0 0 0 0 0 0 0 0 3.5748 -0.8642 -0.2705 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4034 2.4167 -0.4105 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3081 0.6020 0.4301 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4258 0.1284 -0.2983 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8266 0.5906 -0.2565 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1798 0.1642 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5576 0.9619 0.1017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8700 -0.3013 -0.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2695 -0.7328 -0.3487 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0403 -1.2131 -0.7466 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2424 -1.6195 -0.7700 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1433 1.9273 -0.4369 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3914 1.5200 -0.1926 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9705 0.3460 0.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7167 -0.9387 2.0426 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4134 -0.2505 0.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7196 0.4113 0.5870 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4024 1.9675 0.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6740 -1.3561 0.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8112 -1.8942 -1.0921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5049 -2.6136 -1.1144 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3959 2.6875 -0.6409 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3867 1.9521 -0.1723 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5483 -1.6052 2.2812 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7985 -1.3087 2.5027 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9415 0.0738 2.3831 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 1.5357 0.7870 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6863 0.7573 1.6240 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8957 1.2624 -0.0766 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5403 -0.3029 0.4781 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 12 1 0 0 0 0 1 21 1 0 0 0 0 4 22 2 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 6 20 2 0 0 0 0 7 15 2 0 0 0 0 7 20 1 0 0 0 0 8 18 2 0 0 0 0 8 19 1 0 0 0 0 9 20 1 0 0 0 0 9 22 1 0 0 0 0 9 33 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 18 1 0 0 0 0 12 14 1 0 0 0 0 12 19 2 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 15 17 1 0 0 0 0 16 17 2 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 21 30 1 0 0 0 0 21 31 1 0 0 0 0 21 32 1 0 0 0 0 22 23 1 0 0 0 0 23 34 1 0 0 0 0 23 35 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$