B4VJ1M -OEChem-04022115113D 38 40 0 0 0 0 0 0 0999 V2000 2.8272 -1.0422 -0.3447 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 2.0216 1.0016 S 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 -2.3403 0.2765 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2811 -0.8261 -1.7130 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1186 0.8420 0.1112 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4929 0.1705 0.6824 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1135 -0.7171 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6247 -0.1981 -0.1424 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0447 0.0703 -0.0785 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5273 0.1589 -1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3305 -1.3334 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8416 0.4183 -1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0385 -1.0739 0.7714 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5403 1.3072 -0.4910 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9183 -0.9077 0.3972 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8743 0.5271 0.5012 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9094 1.5663 -0.4275 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2873 -0.6486 0.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7829 0.5884 0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8138 -0.2872 -0.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1001 0.3241 -0.1365 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0947 1.5821 0.4246 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9549 -0.2021 0.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1195 0.6490 -1.9485 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7681 -2.0081 1.4396 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 1.0842 -1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6017 -1.5515 1.5684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8831 0.9129 1.0460 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8959 2.1097 -0.8391 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5813 -1.8954 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2895 2.5340 -0.7434 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9104 -1.4542 0.8340 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6285 -1.2845 -0.4690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9854 -0.1372 -0.5544 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9277 2.2636 0.5243 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9241 -1.0847 -0.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7210 -0.4437 1.6503 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9839 0.1718 0.5897 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 6 1 0 0 0 0 1 7 1 0 0 0 0 2 16 1 0 0 0 0 2 22 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 6 16 1 0 0 0 0 6 28 1 0 0 0 0 7 10 2 0 0 0 0 7 11 1 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 8 13 1 0 0 0 0 9 14 2 0 0 0 0 9 15 1 0 0 0 0 10 12 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 25 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 14 17 1 0 0 0 0 14 29 1 0 0 0 0 15 18 2 0 0 0 0 15 30 1 0 0 0 0 16 20 2 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 20 21 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 23 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 M END $$$$