BQ1YS3 -OEChem-04022112443D 59 62 0 1 0 0 0 0 0999 V2000 -0.7751 0.8415 -0.3208 I 0 0 0 0 0 0 0 0 0 0 0 0 -4.3739 -3.5907 1.7169 I 0 0 0 0 0 0 0 0 0 0 0 0 -9.3153 2.8129 0.6658 F 0 0 0 0 0 0 0 0 0 0 0 0 -7.8637 4.4186 0.4605 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.8309 3.6032 -1.3011 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.3352 -0.7364 0.6389 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1732 -5.5846 -1.7992 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3253 -3.5245 -2.2820 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8165 -3.0686 -0.0999 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4365 5.8896 -0.0752 O 0 5 0 0 0 0 0 0 0 0 0 0 8.4934 5.1870 0.2324 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5343 -2.5850 -0.0077 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2662 4.9641 0.0964 N 0 3 0 0 0 0 0 0 0 0 0 0 2.1592 -4.0008 -0.0597 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0217 -4.3533 0.8933 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4523 -1.5831 -0.0187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1302 -3.3918 0.8035 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0840 -2.0751 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0004 -1.1865 0.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4151 -3.7969 1.1917 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8316 -4.3089 -1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8917 -2.2545 -0.1063 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2786 -1.6009 0.6925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 -2.9056 1.1311 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2385 -0.8232 -0.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0702 -0.6929 -0.5807 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4098 -0.4050 0.2613 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1619 0.3292 -0.4585 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8907 0.9873 0.2198 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3012 0.0456 0.2948 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0377 1.5628 -1.0975 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1919 2.2291 -0.2302 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3161 0.9955 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0527 2.5128 -0.9834 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 2.0324 0.0303 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2504 1.2602 0.3686 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4418 3.3500 -0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7060 2.5779 0.3277 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2757 3.2458 -0.1054 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8017 3.6228 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0353 -4.6039 0.2094 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3925 -4.3281 1.9258 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6734 -5.3733 0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4279 -1.1891 -1.0411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7537 -0.7846 0.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5634 -4.8176 1.5385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5426 -0.1682 -0.7418 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9655 -5.8059 -2.7320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4149 -0.4545 -1.4264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5165 -1.6691 -0.8049 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0856 -1.1060 0.7466 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4125 -0.9111 0.7963 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1563 1.7980 -1.6879 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1952 0.7549 1.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9467 3.4713 -1.4844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9173 1.8680 -0.0701 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9695 0.4579 0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7086 4.1394 -0.1556 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7723 2.7528 0.4468 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 2 24 1 0 0 0 0 3 39 1 0 0 0 0 4 39 1 0 0 0 0 5 39 1 0 0 0 0 6 23 1 0 0 0 0 6 26 1 0 0 0 0 7 21 1 0 0 0 0 7 48 1 0 0 0 0 8 21 2 0 0 0 0 9 22 2 0 0 0 0 10 13 1 0 0 0 0 11 13 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 22 1 0 0 0 0 13 40 1 0 0 0 0 14 15 1 0 0 0 0 14 21 1 0 0 0 0 14 41 1 0 0 0 0 15 17 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 18 1 0 0 0 0 16 44 1 0 0 0 0 16 45 1 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 19 2 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 46 1 0 0 0 0 22 25 1 0 0 0 0 23 24 2 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 28 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 29 35 2 0 0 0 0 29 36 1 0 0 0 0 30 33 1 0 0 0 0 30 52 1 0 0 0 0 31 34 2 0 0 0 0 31 53 1 0 0 0 0 32 33 2 0 0 0 0 32 34 1 0 0 0 0 32 39 1 0 0 0 0 33 54 1 0 0 0 0 34 55 1 0 0 0 0 35 37 1 0 0 0 0 35 56 1 0 0 0 0 36 38 2 0 0 0 0 36 57 1 0 0 0 0 37 40 2 0 0 0 0 37 58 1 0 0 0 0 38 40 1 0 0 0 0 38 59 1 0 0 0 0 M CHG 2 10 -1 13 1 M END $$$$