B4FWG6 -OEChem-04022117253D 48 51 0 0 0 0 0 0 0999 V2000 0.3227 -0.9566 2.9793 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.3227 1.0092 2.9852 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 -3.2033 -0.7805 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1151 3.2577 -0.7905 O 0 5 0 0 0 0 0 0 0 0 0 0 -0.8046 -3.4770 -2.5107 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7787 3.4940 -2.5263 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6219 -0.0317 1.9678 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6048 0.0390 1.9773 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1222 -2.9308 -1.4395 N 0 3 0 0 0 0 0 0 0 0 0 0 1.1022 2.9631 -1.4492 N 0 3 0 0 0 0 0 0 0 0 0 0 1.7355 -1.5111 0.5704 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7380 1.5185 0.5678 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9530 -1.0391 0.0050 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9467 1.0222 0.0042 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8273 -2.5084 -0.0362 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8440 2.5240 -0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5592 -0.8734 1.7768 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5843 0.8926 1.7519 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4890 -0.1121 0.9015 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4704 0.0957 0.9083 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2379 -1.8705 -0.9277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2332 1.8942 -0.9293 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6526 -1.3124 -1.1872 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6477 1.2732 -1.1921 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6945 0.5578 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6648 -0.5952 0.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8598 -0.6499 -1.4376 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8438 0.5897 -1.4389 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3708 0.2705 -0.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3427 -0.3298 -0.5183 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4113 -3.2326 -0.6199 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3467 -3.1028 0.7523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4376 3.2337 -0.6380 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3744 3.1328 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7500 0.5636 2.7742 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7204 -0.5487 2.7917 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1997 -1.3538 -1.7886 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8603 -1.1622 -0.3789 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1942 1.3626 -1.7861 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8657 1.2005 -0.3723 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2679 -2.0254 -1.9108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2723 1.9852 -1.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0928 1.2750 1.3742 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0535 -1.3117 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4035 -0.8562 -2.3557 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3883 0.7787 -2.3602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3099 0.7740 -0.7395 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2733 -0.8499 -0.7304 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 17 1 0 0 0 0 2 18 1 0 0 0 0 3 9 1 0 0 0 0 4 10 1 0 0 0 0 5 9 2 0 0 0 0 6 10 2 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 7 35 1 0 0 0 0 8 18 1 0 0 0 0 8 20 1 0 0 0 0 8 36 1 0 0 0 0 9 21 1 0 0 0 0 10 22 1 0 0 0 0 11 13 1 0 0 0 0 11 15 1 0 0 0 0 11 17 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 18 2 0 0 0 0 13 19 1 0 0 0 0 13 23 2 0 0 0 0 14 20 1 0 0 0 0 14 24 2 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 16 22 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 19 25 2 0 0 0 0 20 26 2 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 27 1 0 0 0 0 23 41 1 0 0 0 0 24 28 1 0 0 0 0 24 42 1 0 0 0 0 25 29 1 0 0 0 0 25 43 1 0 0 0 0 26 30 1 0 0 0 0 26 44 1 0 0 0 0 27 29 2 0 0 0 0 27 45 1 0 0 0 0 28 30 2 0 0 0 0 28 46 1 0 0 0 0 29 47 1 0 0 0 0 30 48 1 0 0 0 0 M CHG 4 3 -1 4 -1 9 1 10 1 M END $$$$