B5BNL0 -OEChem-04022105093D 42 46 0 0 0 0 0 0 0999 V2000 1.2232 2.6814 0.3349 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7996 -1.1005 -2.3667 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4149 -0.4221 0.3607 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4630 3.1506 -0.3506 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8072 -0.4447 -1.2921 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7999 0.8495 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1446 0.8888 -0.2652 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5225 -1.2488 0.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6157 -0.4512 -0.1027 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9716 1.9473 -0.0104 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0816 -0.6710 0.6905 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8477 0.3157 0.6969 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4414 1.7407 0.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6844 2.1340 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6568 -2.6248 0.5270 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8789 -1.0616 -0.2521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 0.0047 1.0349 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7894 3.2112 -0.6452 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9206 -3.2004 0.3709 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0161 -2.4327 -0.0128 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1718 -0.3594 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6411 0.0807 2.3710 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4893 -0.6473 0.4122 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9585 -0.2073 2.7277 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8826 -0.5712 1.7483 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6120 -0.7935 -2.3822 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8380 -0.7678 -3.6763 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1688 -1.6976 0.9378 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7311 2.2646 -0.8732 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8092 -3.2327 0.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7445 -0.4767 -0.5510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1445 4.2021 -0.9152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0483 -4.2646 0.5521 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9895 -2.9021 -0.1281 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9342 0.3637 3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2675 -0.9356 -0.2789 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2649 -0.1479 3.7679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8380 -0.2246 -1.5071 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9081 -0.7949 2.0278 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4072 0.2252 -3.8326 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5047 -0.9993 -4.5116 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0377 -1.5124 -3.6422 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 26 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 11 1 0 0 0 0 4 10 2 0 0 0 0 4 18 1 0 0 0 0 5 21 1 0 0 0 0 5 26 1 0 0 0 0 5 38 1 0 0 0 0 6 7 2 0 0 0 0 6 10 1 0 0 0 0 7 9 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 15 2 0 0 0 0 9 16 2 0 0 0 0 10 13 1 0 0 0 0 11 12 2 0 0 0 0 11 28 1 0 0 0 0 12 13 1 0 0 0 0 12 17 1 0 0 0 0 14 18 2 0 0 0 0 14 29 1 0 0 0 0 15 19 1 0 0 0 0 15 30 1 0 0 0 0 16 20 1 0 0 0 0 16 31 1 0 0 0 0 17 21 1 0 0 0 0 17 22 2 0 0 0 0 18 32 1 0 0 0 0 19 20 2 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 22 24 1 0 0 0 0 22 35 1 0 0 0 0 23 25 1 0 0 0 0 23 36 1 0 0 0 0 24 25 2 0 0 0 0 24 37 1 0 0 0 0 25 39 1 0 0 0 0 26 27 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$