L8CQS1 -OEChem-05022323173D 37 40 0 0 0 0 0 0 0999 V2000 -2.8143 2.4620 0.0026 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2502 1.8293 -0.0050 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9936 1.6094 0.0003 N 0 0 0 0 0 0 0 0 0 0 0 0 2.3579 -0.7708 0.0033 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.6850 0.0570 0.0002 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9868 -2.4284 0.0006 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2769 -2.1113 0.0021 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8910 -0.9579 -0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0350 0.1390 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1648 -1.1901 -0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2682 -1.2652 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5939 1.5126 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3117 -2.2251 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3330 -0.7573 -0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 -2.3492 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8108 0.4918 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1254 -0.1936 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5851 -0.1186 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6083 2.9317 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6341 1.2755 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7679 -0.8580 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8657 1.9301 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -0.2034 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0485 1.1906 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9272 -3.1208 -0.0034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9942 -1.6157 -0.0044 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4785 -3.3385 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8793 0.6788 -0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9381 0.8708 0.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2319 3.0325 0.8955 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2302 3.0349 -0.8933 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8594 3.7279 0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7479 1.9013 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7728 -1.9449 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8984 3.0162 -0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9141 -0.7905 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9604 1.1646 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 24 1 0 0 0 0 2 37 1 0 0 0 0 3 12 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 7 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 5 9 1 0 0 0 0 5 10 2 0 0 0 0 6 7 2 0 0 0 0 6 11 1 0 0 0 0 8 9 2 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 15 1 0 0 0 0 11 17 2 0 0 0 0 13 15 2 0 0 0 0 13 25 1 0 0 0 0 14 16 2 0 0 0 0 14 26 1 0 0 0 0 15 27 1 0 0 0 0 16 28 1 0 0 0 0 17 29 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 23 2 0 0 0 0 21 34 1 0 0 0 0 22 24 2 0 0 0 0 22 35 1 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 M END $$$$