B2DM6V -OEChem-04022113243D 38 39 0 0 0 0 0 0 0999 V2000 -3.6852 0.0617 0.3003 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0328 2.6221 -0.1185 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5435 -0.2346 -0.7591 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.8715 0.0402 1.7376 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1965 1.1424 -0.5188 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9481 2.5732 1.0101 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5349 2.9109 -1.4520 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0377 -2.4928 -0.3046 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2133 -1.4191 -0.3689 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2364 3.7056 0.2415 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9445 -0.0514 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3450 -1.2937 -0.2361 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1593 1.1031 -0.1786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7844 -0.1114 -0.4472 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2115 1.1386 0.0558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4364 -2.6005 0.0476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0382 -1.2935 -0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5730 -1.6655 0.6108 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0701 -1.3385 0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0552 -2.3544 -0.6675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4384 -0.4425 0.9220 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7581 2.0483 0.2700 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8632 -3.4840 -0.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5419 -2.7424 1.1288 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5235 -2.2415 -0.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5117 -3.3475 -0.4466 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4981 -1.4138 -1.3565 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7200 -2.3769 1.4349 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5202 -2.2820 0.4966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7804 -0.8823 1.5335 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0415 -1.6806 -1.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0848 -2.7080 -0.5447 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 -3.2241 -0.9006 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4091 0.2958 0.1143 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4838 -0.7381 1.0624 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1043 0.0460 1.8434 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2590 4.1187 1.1819 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5408 4.3475 -0.5007 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 10 1 0 0 0 0 2 13 1 0 0 0 0 3 14 1 0 0 0 0 3 19 1 0 0 0 0 8 12 1 0 0 0 0 8 16 1 0 0 0 0 8 26 1 0 0 0 0 9 16 1 0 0 0 0 9 27 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 12 1 0 0 0 0 11 15 2 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 15 1 0 0 0 0 14 17 1 0 0 0 0 15 22 1 0 0 0 0 16 23 1 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 18 19 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 18 28 1 0 0 0 0 19 29 1 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 20 32 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 21 35 1 0 0 0 0 21 36 1 0 0 0 0 M END $$$$