D00515 -OEChem-05252109482D 42 44 0 1 0 0 0 0 0999 V2000 9.6813 0.4604 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 -1.5613 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3212 -2.8518 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.9685 -2.3166 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7891 -0.3581 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3778 1.0590 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.7303 -0.8486 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0163 0.8641 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.7303 0.1514 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2691 -0.3486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6813 -1.1576 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 7.7220 0.1555 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 7.7220 -0.8528 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 0.2392 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0781 -0.9364 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9903 -2.1087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0499 0.6073 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3442 1.3158 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6721 1.7675 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9329 2.7329 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7056 1.5107 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2273 3.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.2193 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2608 3.1846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5990 0.9912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2429 -1.5960 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1489 -0.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4425 -0.2624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5797 0.6036 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7137 0.7408 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7137 -1.4380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5797 -1.3008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4425 -0.4348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1780 1.4626 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5128 -3.4415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8528 1.6704 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0834 1.8783 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5321 2.8922 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5440 0.9122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3890 4.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4008 2.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8233 3.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 10 1 0 0 0 0 2 13 2 0 0 0 0 3 16 1 0 0 0 0 3 35 1 0 0 0 0 4 16 2 0 0 0 0 5 17 2 0 0 0 0 6 18 1 0 0 0 0 6 19 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 7 13 1 0 0 0 0 12 8 1 1 0 0 0 8 17 1 0 0 0 0 8 34 1 0 0 0 0 9 12 1 0 0 0 0 9 25 1 6 0 0 0 10 11 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 11 16 1 6 0 0 0 11 26 1 0 0 0 0 12 13 1 0 0 0 0 12 27 1 0 0 0 0 14 28 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 21 23 2 0 0 0 0 21 39 1 0 0 0 0 22 24 2 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$