BS1DR7 -OEChem-04022106593D 42 44 0 0 0 0 0 0 0999 V2000 -3.9320 1.7743 0.0255 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.2047 2.4131 -1.2555 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2154 2.4866 1.2635 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6549 1.9617 -0.5460 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4640 -2.5735 -0.3797 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0741 1.2498 0.2631 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7523 -1.2911 0.7515 O 0 0 0 0 0 0 0 0 0 0 0 0 1.8086 0.2405 0.2520 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9791 -0.2978 -0.4827 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5856 -1.9278 0.1781 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2113 -3.1860 -0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2466 1.3237 0.0921 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4706 0.5972 0.1990 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9095 0.2954 0.0173 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6225 0.0141 -0.9160 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5312 1.1226 -1.0884 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6151 1.1648 1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1847 0.7624 -1.0354 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2685 0.8047 1.3788 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3213 -0.2429 1.2215 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2373 -0.2854 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8647 0.7740 -0.3441 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 -1.6578 -0.2403 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0902 -1.4067 1.2153 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0063 -1.4491 -1.1988 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4328 -2.0097 0.0052 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2329 0.3784 0.1090 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6172 -1.0355 0.3839 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6477 0.9094 -1.5479 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2273 -0.8191 -1.5080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0052 1.2349 -2.0595 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1531 1.3080 2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2386 0.1300 1.1631 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3332 0.6134 -1.9792 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2081 0.6833 2.3490 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0583 0.2086 2.1729 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9076 0.1291 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4151 -1.8349 2.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2651 -1.9110 -2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8006 -2.9058 0.3527 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5198 -3.5936 0.8712 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4588 -3.6242 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 4 22 2 0 0 0 0 5 23 2 0 0 0 0 6 27 2 0 0 0 0 7 28 2 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 33 1 0 0 0 0 9 15 1 0 0 0 0 9 22 1 0 0 0 0 9 23 1 0 0 0 0 10 23 1 0 0 0 0 10 28 1 0 0 0 0 10 40 1 0 0 0 0 11 26 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 16 2 0 0 0 0 12 17 1 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 16 18 1 0 0 0 0 16 31 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 24 1 0 0 0 0 20 36 1 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 27 1 0 0 0 0 24 26 2 0 0 0 0 24 38 1 0 0 0 0 25 26 1 0 0 0 0 25 39 1 0 0 0 0 27 28 1 0 0 0 0 M END $$$$