B5PAQ6 -OEChem-04012112082D 39 42 0 1 0 0 0 0 0999 V2000 6.8497 -2.1576 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.7140 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.2184 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.9762 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6495 3.2951 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.5439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.1534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.3486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9889 0.4066 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 1.2166 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 2.0246 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.7140 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.3004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -1.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 -0.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 -0.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 -1.8486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.0325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.7696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.4623 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.4316 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0231 1.7426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3486 2.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.7558 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1517 3.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6581 0.0500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.5386 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 -0.4842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 -2.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.6586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 11 1 0 0 0 0 2 14 1 0 0 0 0 12 3 1 6 0 0 0 3 31 1 0 0 0 0 13 4 1 6 0 0 0 4 32 1 0 0 0 0 5 15 1 0 0 0 0 5 33 1 0 0 0 0 11 6 1 1 0 0 0 6 16 1 0 0 0 0 6 17 1 0 0 0 0 7 16 2 0 0 0 0 7 18 1 0 0 0 0 8 17 2 0 0 0 0 8 22 1 0 0 0 0 9 20 1 0 0 0 0 9 22 2 0 0 0 0 10 20 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 12 1 0 0 0 0 11 25 1 0 0 0 0 12 13 1 0 0 0 0 12 26 1 0 0 0 0 13 14 1 0 0 0 0 13 27 1 0 0 0 0 14 15 1 1 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 1 0 0 0 0 17 18 1 0 0 0 0 18 20 2 0 0 0 0 19 21 2 0 0 0 0 21 23 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 M END $$$$