B2ZG4U -OEChem-04012114472D 44 47 0 1 0 0 0 0 0999 V2000 4.5274 3.2894 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0864 -0.5211 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1114 -1.3222 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4323 -2.8239 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 1.7505 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 2.9338 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 0.9658 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 6.7328 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3923 0.0184 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 1.7505 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 2.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 2.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 2.7016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3991 0.4288 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4118 -0.1782 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0528 -0.7324 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 0.9658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0321 2.3768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 2.9338 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0919 -1.1256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 1.1745 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7328 -1.6799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.1652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3780 0.6329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7524 -1.8764 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7914 -2.2696 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1227 0.5011 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0023 0.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6607 -0.6106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 0.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1633 1.7709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6380 2.5081 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9008 2.9828 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 3.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1423 -2.1454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 0.7122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 2.2964 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5046 0.0260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9850 0.7595 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2515 1.2399 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8419 -3.2894 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2040 -2.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5930 -2.8570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3788 -2.4680 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 13 1 0 0 0 0 2 14 2 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 25 1 0 0 0 0 4 41 1 0 0 0 0 5 7 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 8 12 2 0 0 0 0 8 14 1 0 0 0 0 9 15 2 0 0 0 0 9 16 1 0 0 0 0 10 13 1 0 0 0 0 10 17 2 0 0 0 0 12 18 1 0 0 0 0 13 19 2 0 0 0 0 14 24 1 0 0 0 0 15 20 1 0 0 0 0 15 28 1 0 0 0 0 16 22 2 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 20 25 2 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 22 25 1 0 0 0 0 22 35 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$