B31QIB -OEChem-04042107253D 41 43 0 1 0 0 0 0 0999 V2000 -1.6728 -1.1967 -0.2038 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4538 1.4751 -1.8793 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2340 2.9245 -0.6315 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6988 -2.2791 -0.0206 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4946 3.5310 0.8013 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 -0.2607 0.7114 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9487 -0.9356 0.3101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2264 1.1069 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3300 -2.1997 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4140 2.2084 0.1856 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1945 -1.1123 0.4961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5824 -0.5914 0.2904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4097 -3.1404 -0.6209 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3494 -1.5224 -0.1828 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0601 -2.7767 -0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2452 2.2510 -0.7838 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0275 0.1014 0.2678 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5181 0.2581 0.1960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1021 0.7647 -0.9597 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3019 -0.1050 1.2855 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4878 0.9102 -1.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6876 0.0405 1.2184 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2805 0.5482 0.0623 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3248 1.3210 1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0642 1.1553 1.9696 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3359 2.0351 -0.3826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2562 -0.9938 0.6626 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2562 -3.0829 -0.2745 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3221 0.3945 0.6534 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7275 -4.1171 -0.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6762 -3.4892 -0.9956 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7166 4.2276 0.0909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2653 3.5509 1.4680 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5628 0.8815 -0.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7193 0.2373 1.3131 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4948 1.0477 -1.8151 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8515 -0.5040 2.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6991 1.5154 -2.5045 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9496 1.3048 -1.9272 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3051 -0.2421 2.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3594 0.6611 0.0100 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 17 1 0 0 0 0 2 16 1 0 0 0 0 2 38 1 0 0 0 0 3 16 2 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 28 1 0 0 0 0 5 10 1 0 0 0 0 5 32 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 11 2 0 0 0 0 7 9 2 0 0 0 0 7 12 1 0 0 0 0 8 10 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 10 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 29 1 0 0 0 0 13 15 2 0 0 0 0 13 30 1 0 0 0 0 14 15 1 0 0 0 0 15 31 1 0 0 0 0 17 18 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 20 22 2 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 23 1 0 0 0 0 22 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$