B6RQO9 -OEChem-04022117353D 57 60 0 0 0 0 0 0 0999 V2000 -0.1493 2.6360 0.1436 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.8482 -1.3531 -1.1462 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3508 1.3823 0.1879 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4871 0.1116 -0.4294 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9205 -0.3146 -1.2075 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5718 -0.8797 -0.3802 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9886 -1.5116 0.2638 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4144 -0.2975 0.6507 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1130 4.5614 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7769 3.1574 0.0374 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7618 5.0330 1.8144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3661 5.5646 -0.5820 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6451 4.8390 0.2028 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6201 2.1422 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9211 0.9200 -0.5752 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5699 1.0478 -0.3390 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5305 -0.3155 -0.9960 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6793 -1.4777 -1.6079 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8510 0.3203 -0.1694 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9413 -1.1098 -0.2360 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1780 -2.2576 -0.4259 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1520 -0.3142 0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6401 -1.5886 0.0413 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7771 -0.0611 0.1681 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4581 -2.3803 -0.4962 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8244 -2.6478 -0.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3970 -3.2783 0.1164 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4224 -1.9614 0.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2943 0.4282 0.6757 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8606 -4.0029 1.2145 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8860 -2.6858 1.2282 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1051 -3.7067 1.7703 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6839 4.9799 2.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2565 4.3920 2.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0800 6.0665 1.9923 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5633 5.3290 -1.6345 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2811 5.5376 -0.4322 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6949 6.5953 -0.4046 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2349 4.2163 0.8858 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9834 4.6418 -0.8213 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8836 5.8859 0.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6853 2.2800 -0.4801 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2045 -0.8207 -0.7190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4563 0.5328 -1.0610 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5183 -1.1295 -2.2211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0586 -2.1133 -2.2501 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0218 -1.6824 -0.6761 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4504 0.9433 0.3862 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7991 -3.1876 -0.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2277 -3.6339 -0.5642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4272 -3.5227 -0.3081 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0394 -1.1673 -0.2821 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3553 1.4688 0.9616 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6739 -2.2508 0.1699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2529 -4.7981 1.6362 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8548 -2.4550 1.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4661 -4.2708 2.6253 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 1 0 0 0 0 1 16 1 0 0 0 0 2 17 2 0 0 0 0 3 19 2 0 0 0 0 4 16 1 0 0 0 0 4 19 1 0 0 0 0 4 43 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 44 1 0 0 0 0 6 19 1 0 0 0 0 6 20 1 0 0 0 0 6 47 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 54 1 0 0 0 0 8 29 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 13 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 14 15 1 0 0 0 0 14 42 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 18 21 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 27 2 0 0 0 0 21 28 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 29 1 0 0 0 0 23 26 1 0 0 0 0 24 48 1 0 0 0 0 25 26 2 0 0 0 0 25 49 1 0 0 0 0 26 50 1 0 0 0 0 27 30 1 0 0 0 0 27 51 1 0 0 0 0 28 31 2 0 0 0 0 28 52 1 0 0 0 0 29 53 1 0 0 0 0 30 32 2 0 0 0 0 30 55 1 0 0 0 0 31 32 1 0 0 0 0 31 56 1 0 0 0 0 32 57 1 0 0 0 0 M END $$$$