B8XOH7 -OEChem-04022106523D 49 50 0 0 0 0 0 0 0999 V2000 6.2052 0.1194 0.0248 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3766 -2.5477 -0.0157 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9309 -2.1657 0.0718 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0999 2.7108 0.0459 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.9500 3.1498 -0.0211 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0916 0.0978 -0.1070 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9031 2.3345 0.0174 N 0 3 0 0 0 0 0 0 0 0 0 0 -1.0920 -0.9243 -0.1042 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4864 -0.3047 -0.0778 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2619 1.3455 0.0389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2902 -0.1827 -0.0725 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7852 1.2561 0.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6175 -0.0333 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6034 -1.3401 -0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0178 -0.8658 0.0064 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0234 -0.7372 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2142 0.8623 -0.0760 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7328 -1.5050 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5806 0.5850 -0.0406 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0993 -1.7821 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4250 2.6337 -0.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4780 -1.0322 0.0364 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2964 0.5009 -0.0035 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0616 -1.7901 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6187 0.9434 0.0296 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3840 -1.3476 0.0825 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6626 0.0193 0.0727 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9987 -1.5570 -0.9955 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9811 -1.5676 0.7778 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5697 0.3357 0.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6159 0.3097 -0.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 1.8905 -0.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9050 1.9264 0.8986 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3672 1.0729 -0.1470 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1334 0.6613 -0.7964 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1178 0.7439 0.9664 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9063 -0.5700 0.9687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9414 -0.6107 -0.8167 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8816 1.8968 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0488 -2.3482 -0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2646 1.4289 -0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4243 -2.8188 0.0315 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1389 3.1584 -0.9232 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5158 2.5460 0.0090 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1214 3.2459 0.8493 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4910 1.2273 -0.0380 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8703 -2.8598 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1967 -2.0674 0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7047 0.3272 0.0990 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 14 2 0 0 0 0 3 22 2 0 0 0 0 4 7 1 0 0 0 0 5 7 2 0 0 0 0 6 8 1 0 0 0 0 6 11 1 0 0 0 0 6 34 1 0 0 0 0 7 25 1 0 0 0 0 8 9 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 14 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 21 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 15 1 0 0 0 0 15 23 2 0 0 0 0 15 24 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 16 22 1 0 0 0 0 17 19 1 0 0 0 0 17 39 1 0 0 0 0 18 20 2 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 20 42 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 27 2 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 27 49 1 0 0 0 0 M CHG 2 4 -1 7 1 M END $$$$