B4EGU9 -OEChem-04012116502D 43 46 0 0 0 0 0 0 0999 V2000 9.2788 -0.4160 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9148 3.0416 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.3278 2.9840 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 4.8571 1.6286 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4980 -1.3916 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0596 0.5597 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.7180 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3031 -0.6352 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.3364 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0274 -2.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3518 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0274 -2.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7183 -1.3058 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6498 -0.1190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6255 0.1002 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7123 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0547 -1.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9721 0.6163 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7328 -2.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3424 -3.0416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7029 -1.0736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2701 1.5709 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9235 1.0548 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2458 1.7901 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3219 -2.8329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8423 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5924 2.3063 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2545 -0.1967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5274 -0.0980 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5139 -3.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6607 -1.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3672 0.4804 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1459 -3.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5408 -3.6290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5182 -0.4818 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5284 1.1907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1184 -1.2270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4305 2.3819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9088 -3.2953 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3940 -1.7110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3904 -0.8017 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8594 -0.0608 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1186 0.4082 0.0000 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 28 1 0 0 0 0 2 27 1 0 0 0 0 3 27 1 0 0 0 0 4 27 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 29 1 0 0 0 0 8 15 1 0 0 0 0 8 37 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 12 1 0 0 0 0 10 16 1 0 0 0 0 11 14 1 0 0 0 0 11 17 2 0 0 0 0 12 13 1 0 0 0 0 12 20 2 0 0 0 0 13 21 2 0 0 0 0 14 15 2 0 0 0 0 14 18 1 0 0 0 0 15 23 1 0 0 0 0 16 19 2 0 0 0 0 16 30 1 0 0 0 0 17 19 1 0 0 0 0 17 31 1 0 0 0 0 18 22 2 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 25 1 0 0 0 0 20 34 1 0 0 0 0 21 26 1 0 0 0 0 21 35 1 0 0 0 0 22 24 1 0 0 0 0 22 27 1 0 0 0 0 23 24 2 0 0 0 0 23 36 1 0 0 0 0 24 38 1 0 0 0 0 25 26 2 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 28 41 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 M END $$$$