B5BCH3 -OEChem-04022111003D 53 56 0 1 0 0 0 0 0999 V2000 -6.2430 1.5232 0.4915 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4103 1.5261 0.4660 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0225 -0.6575 0.9747 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4556 -0.4902 0.1400 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -0.5781 0.4722 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9395 0.7248 0.0199 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9424 -0.8390 -0.2781 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9650 0.3432 -0.0071 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0042 1.8960 0.3459 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2072 0.6485 0.8950 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.3677 -1.6154 0.4067 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6203 1.7170 -0.3041 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3797 0.1450 -0.7714 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2918 -2.1616 0.1446 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6282 -0.8329 0.8196 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3129 0.7689 -1.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0006 -2.3981 -0.6291 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9603 -1.2400 -0.5098 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3767 1.2665 -0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7923 0.9508 -0.8592 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2521 -1.4703 -0.2232 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2333 -0.3610 -0.2625 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2564 0.7180 0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6317 0.4160 0.5415 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9877 -0.4819 1.5395 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1427 -0.9000 -1.3551 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7366 0.3350 1.0704 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8681 1.9761 1.4323 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4446 2.8460 0.0204 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9595 0.8952 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1851 -2.4582 1.0811 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4828 -2.0191 -0.6053 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6977 1.8603 -1.3881 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9780 2.5242 0.0660 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1770 0.2063 -1.8501 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9734 -2.9985 -0.0462 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0853 -2.1562 1.2225 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4390 -0.9929 0.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9964 -1.1698 1.7951 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0080 -0.0286 -1.7636 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4439 0.6789 -2.1402 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8005 1.7195 -1.7293 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2348 -2.5432 -1.6914 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4561 -3.3328 -0.2800 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3762 1.4304 0.6768 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 2.2072 -0.8765 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0178 1.3347 1.0480 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3793 1.8308 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8298 0.8490 -1.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6332 -2.4648 -0.0196 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8781 1.5171 0.6686 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3763 1.0300 -1.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3176 1.3599 0.8001 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 47 1 0 0 0 0 2 24 1 0 0 0 0 2 53 1 0 0 0 0 3 24 2 0 0 0 0 4 22 2 0 0 0 0 4 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 5 25 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 16 1 0 0 0 0 7 8 1 0 0 0 0 7 14 1 0 0 0 0 7 26 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 27 1 0 0 0 0 9 12 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 15 1 0 0 0 0 10 30 1 0 0 0 0 11 15 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 13 35 1 0 0 0 0 14 17 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 18 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 19 45 1 0 0 0 0 19 46 1 0 0 0 0 20 22 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 21 22 1 0 0 0 0 21 50 1 0 0 0 0 23 24 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 M END $$$$