B4DQ1Y -OEChem-04022114253D 42 44 0 1 0 0 0 0 0999 V2000 0.7315 -1.3681 -1.4364 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1900 2.8852 0.4016 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 1.4821 -0.4757 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7565 -1.9083 1.6381 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9240 -1.0461 -2.8382 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6076 -2.7495 -1.0095 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7152 -1.9495 -0.6713 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5728 -0.4673 -0.8209 N 0 0 1 0 0 0 0 0 0 0 0 0 -1.5124 1.5450 0.0257 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3199 0.5957 1.2026 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0341 -0.7587 0.5627 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5400 1.0093 -1.0175 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2327 3.6745 -0.1685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4184 2.7489 -0.1417 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2554 -1.6013 0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0715 -0.6483 -0.5361 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4495 -1.1816 0.6961 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7490 0.4545 -1.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5051 -0.6122 1.4080 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8045 1.0239 -0.3442 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1827 0.4906 0.8879 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9363 -2.7183 1.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3115 1.0993 1.6492 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4522 0.9100 1.7965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1886 0.5882 1.8691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 -1.3216 1.1451 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4416 1.4453 -0.8444 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8646 1.2490 -2.0350 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3840 4.5913 0.4063 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9443 3.9312 -1.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8491 2.6746 0.8627 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2011 3.0242 -0.8527 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9423 -2.0435 1.1195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4768 0.8839 -2.0164 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7923 -1.0385 2.3656 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3265 1.8812 -0.7611 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7505 -2.1997 1.1216 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7322 -3.6838 1.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2314 -2.8908 2.6752 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1689 0.9816 2.7288 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3872 2.1740 1.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2554 0.6231 1.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 8 1 0 0 0 0 1 16 1 0 0 0 0 2 9 1 0 0 0 0 2 13 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 15 1 0 0 0 0 4 22 1 0 0 0 0 7 15 2 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 10 11 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 15 1 0 0 0 0 11 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 14 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 33 1 0 0 0 0 18 20 2 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 21 1 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 23 42 1 0 0 0 0 M END $$$$