B1ZKR6 -OEChem-04022115553D 40 42 0 0 0 0 0 0 0999 V2000 -3.9620 -0.9496 -0.3517 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.2762 0.8246 -0.7656 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2650 0.7113 0.1616 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9141 0.2679 2.5952 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2873 -1.5770 -0.2194 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1934 0.5316 -0.4223 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4807 -1.8511 -0.2031 N 0 0 0 0 0 0 0 0 0 0 0 0 9.6664 0.2009 -0.4940 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.8984 0.6045 0.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3913 0.5978 0.3827 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2227 0.4143 1.5971 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8950 0.6756 0.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2576 0.4374 1.5747 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0971 0.8494 -0.7999 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3246 -0.3474 -0.1784 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8485 -0.4991 -0.0925 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7401 -0.7327 -0.3227 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1575 -1.3971 0.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8766 0.8446 -0.6474 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5364 0.6584 -0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5427 -1.2549 0.1265 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2617 0.9869 -0.7295 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0948 -0.0630 -0.3427 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4051 -0.4073 -0.2786 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0817 2.0428 -0.5049 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8149 -1.6512 -0.1844 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5139 0.0826 -0.4262 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7257 1.4509 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8329 0.7047 1.3800 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7167 0.2419 2.5460 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 1.0295 -1.8043 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7430 -2.3311 0.5789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2516 1.6740 -0.9676 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1790 -2.0819 0.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6774 1.9211 -1.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4806 -0.2868 -0.2600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7166 2.1339 -1.3919 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2746 2.7778 -0.5905 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6707 2.2907 0.3839 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4167 -2.5486 -0.0884 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 17 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 4 13 2 0 0 0 0 5 16 2 0 0 0 0 6 17 1 0 0 0 0 6 20 2 0 0 0 0 7 17 2 0 0 0 0 7 26 1 0 0 0 0 8 27 3 0 0 0 0 9 10 1 0 0 0 0 9 11 2 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 14 31 1 0 0 0 0 15 16 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 18 21 1 0 0 0 0 18 32 1 0 0 0 0 19 22 2 0 0 0 0 19 33 1 0 0 0 0 20 24 1 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 23 1 0 0 0 0 22 35 1 0 0 0 0 23 27 1 0 0 0 0 24 26 2 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 M END $$$$