B3VMU7 -OEChem-04042105403D 48 51 0 0 0 0 0 0 0999 V2000 -5.1143 -3.5878 0.1746 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8112 -2.5394 -0.5365 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 1.9518 0.5000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5414 -1.2589 0.1424 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.3458 -0.4386 0.0599 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9580 1.9218 -0.1287 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5516 1.2855 -0.0490 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8981 -0.2484 -0.0188 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0927 1.1470 0.4972 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7456 -0.9992 -0.5423 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0939 -2.4473 0.8817 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5024 -1.5189 -0.9350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3019 -3.2748 1.3059 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6350 -2.3968 -0.4144 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6671 -0.1710 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2165 1.0927 -0.0449 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2863 2.1354 -0.1345 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5577 0.6412 -0.0314 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7996 3.4238 -0.2314 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8625 0.4084 -0.0261 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9999 2.5547 -0.1450 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 3.6521 -0.2380 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7561 1.3306 0.4788 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4198 -0.7497 -0.5287 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5128 -0.0226 -0.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4240 -1.4696 -0.5534 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7824 0.7429 0.5188 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8153 -1.4107 -1.1409 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0808 0.2458 1.1114 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5267 -2.1663 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4429 -3.0462 0.2328 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9732 -2.0515 -1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9282 -0.6189 -1.3848 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9061 -2.7459 2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9706 -4.2170 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2890 -2.6908 -1.2415 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2487 -1.8626 0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1242 4.2736 -0.3037 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5710 4.6562 -0.3136 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0787 2.6667 -0.1450 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4351 2.2755 0.9071 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8171 -1.5439 -0.9592 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5533 -1.8109 -0.4434 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8260 -2.0510 -2.0306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0791 -0.4087 -1.4857 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9102 0.3906 0.4169 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2908 0.8501 2.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0116 -0.7879 1.4566 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 26 2 0 0 0 0 3 27 2 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 15 1 0 0 0 0 5 15 2 0 0 0 0 5 18 1 0 0 0 0 6 17 1 0 0 0 0 6 18 2 0 0 0 0 7 16 1 0 0 0 0 7 21 2 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 23 2 0 0 0 0 9 25 1 0 0 0 0 10 24 1 0 0 0 0 10 25 2 0 0 0 0 11 13 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 23 1 0 0 0 0 20 24 2 0 0 0 0 21 22 1 0 0 0 0 21 40 1 0 0 0 0 22 39 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 29 46 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 M END $$$$