LHCB58 -OEChem-05022323532D 52 56 0 0 0 0 0 0 0999 V2000 13.9865 -1.2614 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 15.3955 1.9032 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 6.5406 0.8568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.0729 -0.8546 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 -0.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.0985 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8007 -1.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.0549 0.5466 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.4033 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.7774 0.7277 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2619 -0.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -0.9033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 -0.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6097 0.1845 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.7080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8497 -1.7123 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3323 0.3656 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5233 -0.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5052 1.1791 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2458 -0.0412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2278 1.3601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.0967 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3142 1.7668 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.9032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9684 0.1399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6910 0.3209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7955 -0.6736 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5000 0.9087 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7090 -1.0803 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.4135 0.5020 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5181 -0.4925 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 0.4908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8709 -2.2973 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6581 -2.3019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3023 -1.7677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5881 -0.8388 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9388 1.4312 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8991 -0.5552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6918 -0.4718 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7294 1.7245 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7167 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2494 2.3834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.5232 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9901 1.1632 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.0933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.7126 1.3443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7739 -1.6969 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9151 0.8664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0845 -0.7447 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 31 1 0 0 0 0 3 13 2 0 0 0 0 4 28 2 0 0 0 0 5 7 1 0 0 0 0 5 13 1 0 0 0 0 5 14 1 0 0 0 0 6 12 1 0 0 0 0 6 15 1 0 0 0 0 6 35 1 0 0 0 0 7 18 1 0 0 0 0 7 38 1 0 0 0 0 8 22 1 0 0 0 0 8 28 1 0 0 0 0 8 47 1 0 0 0 0 9 26 2 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 10 49 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 17 2 0 0 0 0 14 20 1 0 0 0 0 14 21 2 0 0 0 0 15 16 2 0 0 0 0 15 24 1 0 0 0 0 16 17 1 0 0 0 0 16 26 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 19 20 2 0 0 0 0 19 22 1 0 0 0 0 19 23 1 0 0 0 0 20 39 1 0 0 0 0 21 25 1 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 25 2 0 0 0 0 23 43 1 0 0 0 0 24 27 2 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 26 46 1 0 0 0 0 27 48 1 0 0 0 0 29 30 2 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 31 33 2 0 0 0 0 32 34 2 0 0 0 0 32 50 1 0 0 0 0 33 34 1 0 0 0 0 33 51 1 0 0 0 0 34 52 1 0 0 0 0 M END $$$$