L2BDA7 -OEChem-05022323342D 46 49 0 1 0 0 0 0 0999 V2000 7.6373 0.2840 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.7579 1.9602 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1521 1.5832 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1521 -0.0262 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5768 0.2376 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8283 1.6852 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6078 1.7785 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 -0.4669 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3958 -1.4850 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4013 -1.3804 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 0.3421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9836 -0.6759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3624 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 -2.3985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1646 1.0466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1591 0.9421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6591 0.0761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7418 1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4739 1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2059 1.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 1.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2059 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4739 0.2785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 -0.2215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7357 0.7785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6301 -0.9685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0124 -1.5498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7997 -1.5304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4445 -1.9989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7532 0.9381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0250 0.6139 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 -1.1219 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4976 -0.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0648 0.2542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.2975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9352 -0.9790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2361 -2.6507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0547 -2.9649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3689 -2.1463 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4070 -0.4903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6078 2.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 2.3985 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9369 -0.0315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3399 -0.8415 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1966 0.3638 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1966 1.1932 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 18 1 0 0 0 0 2 15 2 0 0 0 0 3 20 1 0 0 0 0 3 25 1 0 0 0 0 4 22 1 0 0 0 0 4 25 1 0 0 0 0 5 11 1 0 0 0 0 5 12 1 0 0 0 0 5 15 1 0 0 0 0 6 16 1 0 0 0 0 6 18 2 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 7 41 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 13 1 1 0 0 0 8 26 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 1 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 16 1 0 0 0 0 16 17 2 0 0 0 0 17 40 1 0 0 0 0 19 21 2 0 0 0 0 19 23 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 42 1 0 0 0 0 22 24 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 45 1 0 0 0 0 25 46 1 0 0 0 0 M END $$$$