D07JKB -OEChem-04152111273D 37 40 0 0 0 0 0 0 0999 V2000 -4.3637 -2.5346 -0.3994 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1118 -1.4840 1.7826 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2435 -0.7159 -0.0902 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1281 -0.4015 -0.1267 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2956 2.3370 0.2628 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1440 1.8054 0.0952 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4668 3.6082 0.3527 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2411 -0.5181 -1.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1161 -2.0953 0.3996 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5609 -1.1621 -0.7373 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4959 -2.6545 0.7276 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1183 0.1129 -0.0290 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2410 1.4791 0.1317 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1169 2.2919 0.1904 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1676 0.4642 -0.0597 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4773 -0.1277 -0.1686 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7821 3.6004 0.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9102 -1.0813 0.7526 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3154 0.2649 -1.2120 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1813 -1.6425 0.6303 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5867 -0.2963 -1.3344 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0196 -1.2500 -0.4132 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8694 -0.9931 -2.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4150 0.5378 -1.3733 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6417 -2.7057 -0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4918 -2.1381 1.3000 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0138 -0.6379 0.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2708 -1.1199 -1.5694 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4178 -3.7164 0.9813 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9418 -2.1394 1.5871 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2764 2.0910 0.2785 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4187 4.4652 0.5138 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9955 1.0039 -1.9430 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5324 -2.3867 1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2391 0.0086 -2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0093 -1.6870 -0.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5848 -2.1491 2.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 11 1 0 0 0 0 2 18 1 0 0 0 0 2 37 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 12 1 0 0 0 0 4 12 2 0 0 0 0 4 15 1 0 0 0 0 5 13 1 0 0 0 0 5 17 1 0 0 0 0 5 31 1 0 0 0 0 6 14 1 0 0 0 0 6 15 2 0 0 0 0 7 14 1 0 0 0 0 7 17 2 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 32 1 0 0 0 0 18 20 2 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 M END $$$$