B6JWI3 -OEChem-04022105443D 42 44 0 0 0 0 0 0 0999 V2000 1.2975 -1.9316 0.0402 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2438 0.1742 0.0183 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1690 -1.1103 -0.0173 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0783 2.9425 0.0139 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.4383 0.5665 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8465 -0.9543 0.0333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6702 0.0237 0.0320 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1157 -0.1383 0.0082 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8641 -0.7784 -0.0092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0678 0.8769 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1923 -0.2723 0.0075 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4179 1.5688 0.0034 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3351 -0.7044 0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5279 -1.4651 -0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8905 -1.7735 -0.0107 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0828 -0.1129 -0.0150 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7631 1.2296 -0.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7847 0.0172 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8128 0.0532 1.2037 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5173 -0.5246 -0.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0286 0.6478 -1.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0568 0.6839 1.1796 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6646 0.9812 -0.0402 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7724 -1.6320 -0.8282 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7899 -1.6072 0.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7151 0.6734 -0.8504 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7068 0.6656 0.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7120 1.9032 0.0186 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4619 1.1684 0.0209 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8557 -2.3118 -0.0065 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1891 -2.8204 -0.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5381 1.9897 -0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2961 -0.2365 -2.1484 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3464 -0.1723 2.1584 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6137 -1.6154 -0.0321 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0269 -0.1480 0.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0200 -0.1347 -0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1221 3.2624 0.0190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8191 3.6323 0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5016 0.8799 -2.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5520 0.9441 2.1106 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6330 1.4725 -0.0589 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 8 1 0 0 0 0 2 13 1 0 0 0 0 2 29 1 0 0 0 0 3 9 2 0 0 0 0 3 16 1 0 0 0 0 4 12 1 0 0 0 0 4 38 1 0 0 0 0 4 39 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 13 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 2 0 0 0 0 8 14 1 0 0 0 0 9 15 1 0 0 0 0 10 28 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 17 1 0 0 0 0 14 15 2 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 20 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$