B3P0MR -OEChem-04022103253D 46 48 0 0 0 0 0 0 0999 V2000 -3.5248 -1.4442 1.2371 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5018 -2.0616 2.0704 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8589 -1.2342 1.7820 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9227 4.3380 -0.8917 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2929 -2.1222 -1.7429 O 0 5 0 0 0 0 0 0 0 0 0 0 3.0905 -0.2014 -2.4456 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.6613 -2.3357 -0.2139 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2951 3.6529 -0.6258 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6231 0.2604 0.5780 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9604 -1.0774 -1.5586 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0798 1.5644 0.1285 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9311 0.1001 0.6734 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0085 2.5475 -0.2201 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4720 -2.5701 -1.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5514 0.3172 0.5840 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2139 2.1183 -0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8348 1.0997 0.3185 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3905 2.3447 -0.1358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0486 3.4032 -0.5462 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2274 -4.0687 -1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 -1.9435 -2.4150 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4873 1.4905 0.1343 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9320 -0.2246 0.7406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5920 -0.8791 -0.2993 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5711 -0.0417 1.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8914 -1.3508 -0.1131 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8706 -0.5136 2.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5308 -1.1680 1.1132 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5799 -2.1309 -0.5934 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8504 -0.4602 0.8685 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5826 -2.4967 -0.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9070 0.9306 0.3793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0946 3.1218 -0.4138 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7064 4.5220 -0.9371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3432 -4.2814 -1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0664 -4.5025 -0.1509 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0834 -4.5843 -1.5937 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8168 -2.0984 -3.0572 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8598 -0.8649 -2.3313 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5621 -2.3758 -2.9182 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3860 2.0944 -0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4295 5.1282 -1.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0657 0.4664 2.7840 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4188 -1.8628 -0.9143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3683 -0.3714 3.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5426 -1.5353 1.2584 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 4 19 1 0 0 0 0 4 42 1 0 0 0 0 5 10 1 0 0 0 0 6 10 2 0 0 0 0 7 14 1 0 0 0 0 7 31 1 0 0 0 0 8 13 1 0 0 0 0 8 19 1 0 0 0 0 8 34 1 0 0 0 0 9 22 2 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 11 16 1 0 0 0 0 12 15 2 0 0 0 0 12 17 1 0 0 0 0 13 18 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 14 29 1 0 0 0 0 15 30 1 0 0 0 0 16 19 2 0 0 0 0 16 22 1 0 0 0 0 17 18 2 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 43 1 0 0 0 0 26 28 1 0 0 0 0 26 44 1 0 0 0 0 27 28 2 0 0 0 0 27 45 1 0 0 0 0 28 46 1 0 0 0 0 M CHG 2 5 -1 10 1 M END $$$$