B5WPZ6 -OEChem-04022114143D 40 42 0 0 0 0 0 0 0999 V2000 4.7403 1.3190 0.0281 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.0766 1.9881 -0.5642 S 0 0 0 0 0 0 0 0 0 0 0 0 5.8243 0.6981 0.7762 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9830 1.8146 -1.3195 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1692 -2.4790 -0.1512 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5127 -0.8347 -0.0102 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0832 -3.1714 -0.1579 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0764 2.5833 0.9662 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2531 -1.5780 -0.1097 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3979 0.2037 -0.0253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3855 -0.5988 -1.0942 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1931 -1.6663 0.9171 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2137 -2.1444 -0.1041 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4579 0.2922 -1.0521 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2656 -0.7754 0.9593 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8315 -0.5534 0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4560 -3.9123 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1464 0.8469 0.1323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8220 -1.5131 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2309 1.4517 0.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 3.2966 -0.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1830 2.8709 0.6122 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3846 -2.8185 -0.1112 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6541 4.6804 -0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6661 -0.5208 -1.9055 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1016 -2.4138 1.7009 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5386 1.0499 -1.8263 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9808 -0.8566 1.7730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2183 -4.2339 1.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5132 -4.1374 -0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1059 -4.5265 -0.6897 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8798 -1.2838 0.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0265 0.9171 1.2326 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9339 3.5413 1.0109 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0897 -3.6416 -0.1561 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8565 3.4661 0.4891 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4319 2.7049 1.9223 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3812 5.4059 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5792 4.8239 -1.4755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6841 4.9176 0.0572 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 8 1 0 0 0 0 1 10 1 0 0 0 0 2 18 1 0 0 0 0 2 21 1 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 6 13 1 0 0 0 0 6 16 2 0 0 0 0 7 13 2 0 0 0 0 7 23 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 25 1 0 0 0 0 12 15 2 0 0 0 0 12 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 20 2 0 0 0 0 19 23 2 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 34 1 0 0 0 0 23 35 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$