BW53QM -OEChem-04022118293D 40 41 0 0 0 0 0 0 0999 V2000 2.8474 -2.2239 -1.1992 S 0 0 0 0 0 0 0 0 0 0 0 0 1.0626 -2.3417 1.2245 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7976 2.6258 -0.6340 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6572 0.1073 -1.2561 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5097 0.6826 0.7216 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3832 -0.4658 0.1129 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3478 0.3847 -0.8574 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8309 -1.2754 0.3417 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2831 0.0306 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4468 -1.9571 0.2090 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0996 -0.5096 1.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7885 -1.3885 -0.6663 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3256 0.1435 1.6024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0146 -0.7355 -0.5401 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0356 -2.1944 -1.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2350 -0.5897 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6445 0.7787 0.5637 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8175 1.8620 0.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6716 1.6031 -0.3770 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5853 0.6857 -0.1766 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9078 0.9606 1.3359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7364 1.5169 0.3322 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6334 2.3001 -1.3847 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3639 -0.4050 2.2693 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6129 -1.9909 -1.5533 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 0.7381 2.4913 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7065 -0.8725 -1.3593 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6981 -1.4223 -1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6737 -3.1642 -1.5459 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6286 1.2209 1.5774 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0489 2.8523 0.7195 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6882 1.3197 2.3463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4541 0.0158 1.4249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5606 1.6817 0.8337 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5439 1.5226 -0.4052 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1120 1.0937 1.2680 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4051 2.5451 0.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0501 3.2163 -1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0103 1.5784 -0.8477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8979 1.9238 -2.3786 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 10 2 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 20 2 0 0 0 0 5 9 1 0 0 0 0 5 20 1 0 0 0 0 5 30 1 0 0 0 0 6 16 2 0 0 0 0 6 17 1 0 0 0 0 7 16 1 0 0 0 0 7 19 2 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 13 2 0 0 0 0 9 14 1 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 17 18 2 0 0 0 0 17 21 1 0 0 0 0 18 19 1 0 0 0 0 18 31 1 0 0 0 0 20 22 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$