B5CGM2 -OEChem-04022105023D 52 55 0 1 0 0 0 0 0999 V2000 -8.5101 1.2605 -1.3351 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6894 -2.4056 -0.3391 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9337 2.1595 1.4834 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4644 -0.8672 1.9595 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2303 -1.4214 1.9936 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3618 0.6446 -1.3530 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5726 2.9236 0.0315 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5025 0.3404 1.1307 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.3592 0.0641 0.1614 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5827 -0.9353 0.9790 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8359 0.5855 0.4741 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1979 -1.3224 0.6328 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3826 -0.3772 -0.3744 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5239 1.7748 0.7145 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4844 -2.2512 1.4186 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4262 -0.7574 -0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6173 -0.1507 -0.9824 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7587 2.0014 0.1064 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3054 1.0386 -0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7908 -2.6150 1.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7326 -1.1213 -0.8057 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4149 -2.0500 -0.0199 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5747 -1.3952 -0.6751 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.0112 0.2346 -2.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6322 -0.2349 0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4096 -1.5366 -1.7778 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5348 0.7463 -0.2885 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2775 -0.4972 -2.0719 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6382 1.9789 0.4736 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8090 4.1857 0.6947 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2264 1.1961 1.7619 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7817 0.9729 -0.0293 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6571 -0.4010 -0.7830 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8272 -0.7094 2.8972 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8660 -1.3132 -0.5700 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1109 2.5342 1.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0210 -2.7055 2.2902 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0768 -0.0412 -1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9846 -0.9406 -1.6286 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2900 2.9298 0.2974 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3177 -3.3388 1.7080 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1850 -0.6839 -1.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9768 0.5782 -2.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3587 0.0785 -3.0567 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1988 -0.6932 -1.6399 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0063 -0.1103 0.9669 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3857 -2.4303 -2.3914 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9494 -0.5582 -2.9216 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1051 2.7273 -0.8111 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1937 4.9476 0.2099 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5483 4.1211 1.7539 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8652 4.4417 0.5840 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 24 1 0 0 0 0 2 22 1 0 0 0 0 2 23 1 0 0 0 0 3 29 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 34 1 0 0 0 0 5 10 2 0 0 0 0 6 27 2 0 0 0 0 6 28 1 0 0 0 0 7 29 1 0 0 0 0 7 30 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 12 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 17 1 0 0 0 0 13 35 1 0 0 0 0 14 18 2 0 0 0 0 14 36 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 16 21 2 0 0 0 0 16 38 1 0 0 0 0 17 19 2 0 0 0 0 17 39 1 0 0 0 0 18 19 1 0 0 0 0 18 40 1 0 0 0 0 20 22 2 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 24 43 1 0 0 0 0 24 44 1 0 0 0 0 24 45 1 0 0 0 0 25 27 1 0 0 0 0 25 46 1 0 0 0 0 26 28 2 0 0 0 0 26 47 1 0 0 0 0 27 29 1 0 0 0 0 28 48 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 M END $$$$