B3NGU0 -OEChem-04012120162D 60 65 0 1 0 0 0 0 0999 V2000 2.1671 0.5085 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1081 1.0100 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8242 -4.3276 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1699 -1.1961 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 7.7686 -0.1780 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7017 -0.3739 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5900 -1.9114 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7225 1.4261 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1753 -1.0916 0.0000 N 0 3 0 0 0 0 0 0 0 0 0 0 4.2017 -1.9128 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.3927 -1.3250 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0107 -1.3250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7017 -0.3739 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8921 -2.8574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0107 -2.5005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8980 -2.8565 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1670 0.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2364 0.5200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 1.4261 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4228 -3.7465 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0052 -2.6051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3657 -3.7447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1776 2.2902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9112 -4.6468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 -4.6458 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4120 -3.5186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5930 -1.7960 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6742 3.1581 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5876 -1.9006 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4065 -3.6231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9943 -2.8141 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6742 3.1620 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1709 4.0222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1709 4.0299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6675 4.8902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 4.8940 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7044 -0.8262 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3207 -1.8619 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5771 -1.0728 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5463 -0.4693 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4967 -2.8472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2329 -1.9217 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7208 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9899 1.9636 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0428 -3.7398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0346 1.9618 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7458 -3.7370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 2.6869 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7042 1.8898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 -5.1828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5632 -5.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3409 -1.2296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6587 -4.1895 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6109 -2.8789 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0764 -4.8940 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9863 2.6263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5509 4.0198 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7909 4.0323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3555 5.4259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 5.4322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 2 0 0 0 0 2 18 2 0 0 0 0 3 26 1 0 0 0 0 3 55 1 0 0 0 0 4 9 1 0 0 0 0 5 9 2 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 11 1 0 0 0 0 7 16 1 0 0 0 0 7 43 1 0 0 0 0 8 18 1 0 0 0 0 8 19 1 0 0 0 0 8 46 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 6 0 0 0 11 37 1 6 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 18 1 0 0 0 0 13 40 1 1 0 0 0 14 16 1 0 0 0 0 14 20 2 0 0 0 0 15 21 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 22 2 0 0 0 0 17 19 1 0 0 0 0 19 23 1 6 0 0 0 19 44 1 0 0 0 0 20 24 1 0 0 0 0 20 45 1 0 0 0 0 21 26 2 0 0 0 0 21 27 1 0 0 0 0 22 25 1 0 0 0 0 22 47 1 0 0 0 0 23 28 1 0 0 0 0 23 48 1 0 0 0 0 23 49 1 0 0 0 0 24 25 2 0 0 0 0 24 50 1 0 0 0 0 25 51 1 0 0 0 0 26 30 1 0 0 0 0 27 29 2 0 0 0 0 27 52 1 0 0 0 0 28 32 2 0 0 0 0 28 33 1 0 0 0 0 29 31 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 32 34 1 0 0 0 0 32 56 1 0 0 0 0 33 35 2 0 0 0 0 33 57 1 0 0 0 0 34 36 2 0 0 0 0 34 58 1 0 0 0 0 35 36 1 0 0 0 0 35 59 1 0 0 0 0 36 60 1 0 0 0 0 M CHG 2 4 -1 9 1 M END $$$$