LGYV85 -OEChem-05022322193D 39 39 0 1 0 0 0 0 0999 V2000 -4.1083 -0.2604 0.4048 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 2.1767 -0.3077 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3065 -1.2738 -1.1546 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4364 -0.4544 0.6604 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1396 1.6521 1.9013 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2442 3.1421 -1.4100 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5672 0.2487 0.1842 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5708 -2.5951 0.7218 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3586 0.2131 -0.4331 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2108 -1.5935 -0.1606 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0073 0.7883 -0.0413 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2592 -0.4047 2.1067 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2507 -0.1081 -0.3367 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6634 0.4426 -0.1323 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6287 0.9414 -1.0280 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6199 1.8036 0.5643 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6763 2.7614 -0.1614 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0800 0.4792 -1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4703 -2.4555 -0.4896 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7776 -0.4662 0.4024 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5114 -3.5874 -1.4711 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4582 -1.4500 1.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1772 -0.3478 0.6460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1190 0.5454 -1.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2733 1.1209 -2.0511 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6316 2.2207 0.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5450 3.6691 0.4386 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1645 -0.4366 -1.7193 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6900 1.2613 -1.5904 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1727 2.5261 2.3263 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8840 4.0169 -1.6339 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4279 -3.6285 -2.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6385 -4.5305 -0.9320 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3576 -3.4574 -2.1504 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3147 -1.1563 2.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5304 -1.4591 1.0893 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0588 -2.4519 1.1284 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7127 -1.1510 2.5554 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2440 0.4705 2.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 1 7 1 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 12 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 3 13 1 0 0 0 0 3 19 1 0 0 0 0 4 14 1 0 0 0 0 4 20 1 0 0 0 0 5 16 1 0 0 0 0 5 30 1 0 0 0 0 6 17 1 0 0 0 0 6 31 1 0 0 0 0 7 18 1 0 0 0 0 8 19 2 0 0 0 0 9 20 2 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 14 24 1 0 0 0 0 15 18 1 0 0 0 0 15 25 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 27 1 0 0 0 0 18 28 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 32 1 0 0 0 0 21 33 1 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 22 36 1 0 0 0 0 22 37 1 0 0 0 0 M END $$$$