L5KDB7 -OEChem-05022323322D 56 60 0 0 0 0 0 0 0999 V2000 2.8660 -3.9366 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 1.8681 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.9366 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1424 0.2586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.5634 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4530 2.8186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4046 3.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8666 3.6286 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4064 4.1260 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4558 4.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.9366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7260 1.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 0.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -4.4366 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.0634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5634 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8907 2.3794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5325 2.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0213 3.1897 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4066 4.0443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4052 3.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0228 4.0601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5363 4.7322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7090 5.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9194 4.7476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.2466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -3.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -3.0192 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -2.3290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -0.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -1.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -1.5443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -0.8540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3460 1.0634 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.5566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -3.8997 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -4.7466 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -4.9736 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.8734 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 26 1 0 0 0 0 2 9 1 0 0 0 0 2 15 1 0 0 0 0 2 20 1 0 0 0 0 3 18 1 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 4 20 2 0 0 0 0 4 21 1 0 0 0 0 5 24 2 0 0 0 0 5 25 1 0 0 0 0 6 24 1 0 0 0 0 6 27 1 0 0 0 0 6 51 1 0 0 0 0 7 23 1 0 0 0 0 7 27 2 0 0 0 0 8 23 2 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 30 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 17 1 0 0 0 0 14 39 1 0 0 0 0 15 21 1 0 0 0 0 15 22 2 0 0 0 0 16 18 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 44 1 0 0 0 0 18 45 1 0 0 0 0 19 46 1 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 21 25 2 0 0 0 0 22 24 1 0 0 0 0 22 49 1 0 0 0 0 25 50 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 26 54 1 0 0 0 0 27 28 1 0 0 0 0 28 29 2 0 0 0 0 28 55 1 0 0 0 0 29 56 1 0 0 0 0 M END $$$$