BQVR45 -OEChem-04022105533D 41 41 0 0 0 0 0 0 0999 V2000 7.8239 1.9220 -0.1328 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0979 -1.7841 1.0728 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3724 0.2276 1.3089 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4987 -0.6498 1.1315 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9242 -1.2971 -0.8681 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4682 -1.3029 0.0178 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1305 -1.3490 -0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4343 -0.2528 -0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1656 -2.4051 -0.1716 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7830 -0.2230 0.1864 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1613 -2.5136 -0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7338 0.8267 -0.3917 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0423 0.9261 0.3608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8444 -1.0278 0.1388 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5717 0.2633 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8668 0.3988 0.5327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9429 1.3483 -0.5783 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5329 1.6194 0.4220 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6092 2.5688 -0.6890 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9042 2.7043 -0.1889 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2847 -1.0942 1.0789 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 -2.2908 -0.0339 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3153 -1.5551 -1.7867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6607 -0.3595 -0.6714 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6055 -0.4532 -1.6063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9660 0.7369 -0.4757 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6585 -3.3846 -0.2018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0303 -2.1840 0.8853 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2537 -1.2123 0.1292 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6155 -0.0188 1.2514 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7568 -3.3286 -0.4915 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9842 -2.7454 -1.9729 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9611 0.5826 -1.4354 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2528 1.8109 -0.3560 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8043 -0.6519 -1.6417 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9245 1.2939 -0.9521 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5420 1.7395 0.8072 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1173 3.4161 -1.1579 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6702 1.9992 0.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4221 3.6552 -0.2737 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3857 -0.3674 1.4133 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 39 1 0 0 0 0 2 14 2 0 0 0 0 3 13 2 0 0 0 0 4 16 1 0 0 0 0 4 41 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 35 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 21 1 0 0 0 0 6 22 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 12 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 14 15 1 0 0 0 0 15 16 1 0 0 0 0 15 17 2 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 36 1 0 0 0 0 18 20 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 38 1 0 0 0 0 20 40 1 0 0 0 0 M END $$$$