BL58TM -OEChem-04022104523D 47 47 0 1 0 0 0 0 0999 V2000 -1.1273 -2.8847 0.6159 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.9974 -4.2792 0.2387 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6009 -2.5280 1.9398 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2059 0.8170 1.1294 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1250 1.2208 -1.9807 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3890 -1.0229 0.5294 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5219 0.6711 0.4917 O 0 5 0 0 0 0 0 0 0 0 0 0 5.0365 -0.8753 -0.9791 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0643 -2.0853 -0.5538 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 3.1799 -1.1799 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2337 -0.3590 -0.1644 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.2186 -0.6131 -0.4968 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4773 -0.0632 -1.9027 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2857 1.4516 -2.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8623 1.9054 -1.7270 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3989 3.8576 -0.8405 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8426 3.5760 0.5913 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3885 -0.3267 0.4178 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4582 -2.1378 0.3848 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2043 3.9975 1.6249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8003 -0.9918 1.1025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3670 -2.6944 -0.5151 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2390 3.6501 3.0376 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0512 -0.4022 0.9202 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6179 -2.1048 -0.6974 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9600 -0.9586 0.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3258 -0.1578 -0.0733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4962 -0.3133 -2.2251 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7984 -0.5513 -2.6143 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9868 1.9608 -1.3367 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5272 1.7750 -3.0267 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3383 -2.5649 -1.4196 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1839 3.5461 -1.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2275 4.9299 -0.9824 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7848 4.1021 0.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0439 2.5045 0.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7017 3.6757 -1.0139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1599 3.4977 1.4310 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3814 5.0769 1.5543 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1109 -0.5434 1.8125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1185 -3.5821 -1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1773 4.1546 3.2893 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3883 2.5711 3.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5202 3.9633 3.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2859 0.4864 1.5003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2998 -2.5647 -1.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9638 1.0024 1.7239 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 9 1 0 0 0 0 1 19 1 0 0 0 0 4 18 1 0 0 0 0 4 47 1 0 0 0 0 5 15 2 0 0 0 0 6 18 2 0 0 0 0 7 11 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 10 15 1 0 0 0 0 10 16 1 0 0 0 0 10 37 1 0 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 18 1 0 0 0 0 12 27 1 0 0 0 0 13 14 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 17 20 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 19 21 2 0 0 0 0 19 22 1 0 0 0 0 20 23 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 25 2 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 23 43 1 0 0 0 0 23 44 1 0 0 0 0 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 M CHG 2 7 -1 11 1 M END $$$$