L5RT6E -OEChem-05022321442D 42 46 0 0 0 0 0 0 0999 V2000 3.5827 -3.6441 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0623 1.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6691 -2.0508 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.2213 0.0196 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -3.4488 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5660 3.0606 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.3077 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7106 -2.6441 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2280 2.3189 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8438 3.2446 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -2.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -1.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -2.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4487 -3.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1808 -3.1441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4782 -0.6496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -3.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7565 1.6668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1270 -1.8393 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5000 -0.4416 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0134 0.9977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6518 2.6554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7287 1.4593 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6723 4.0549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8643 4.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -4.6441 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9500 4.2389 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -1.0241 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3147 -4.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5402 -2.6573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 -0.1720 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 -1.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2478 0.1248 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3196 -4.0381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9799 0.8925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2391 4.3061 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9301 5.2606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9627 -4.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5827 -5.2641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2027 -4.6441 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4490 4.6042 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 27 1 0 0 0 0 2 22 2 0 0 0 0 3 7 1 0 0 0 0 3 12 1 0 0 0 0 3 31 1 0 0 0 0 4 17 1 0 0 0 0 4 22 1 0 0 0 0 4 32 1 0 0 0 0 5 8 1 0 0 0 0 5 16 1 0 0 0 0 5 35 1 0 0 0 0 6 9 1 0 0 0 0 6 23 1 0 0 0 0 6 25 1 0 0 0 0 7 21 2 0 0 0 0 8 20 2 0 0 0 0 9 24 2 0 0 0 0 10 23 1 0 0 0 0 10 28 2 0 0 0 0 11 12 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 13 20 1 0 0 0 0 14 29 1 0 0 0 0 15 18 1 0 0 0 0 16 18 2 0 0 0 0 17 21 1 0 0 0 0 18 30 1 0 0 0 0 19 22 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 33 1 0 0 0 0 21 34 1 0 0 0 0 24 36 1 0 0 0 0 25 26 2 0 0 0 0 25 37 1 0 0 0 0 26 28 1 0 0 0 0 26 38 1 0 0 0 0 27 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$