BR53MX -OEChem-04012113313D 39 41 0 0 0 0 0 0 0999 V2000 -4.3651 0.6950 -0.0006 S 0 0 0 0 0 0 0 0 0 0 0 0 2.5768 4.4928 -0.0017 F 0 0 0 0 0 0 0 0 0 0 0 0 -5.0124 0.3550 -1.2597 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0260 0.3829 1.2592 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0216 -1.7568 0.0008 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2091 -1.0666 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2528 -1.1775 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2692 -3.1047 0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2294 -1.9967 0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6350 -3.2828 0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3042 0.3728 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7760 -0.0286 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8719 -0.8967 -1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8716 -0.8946 1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1414 -0.3186 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1411 -0.3167 1.2078 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1919 -4.1188 0.0022 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3498 1.0681 -1.2081 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3507 1.0692 1.2079 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0527 2.4460 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4420 2.4600 -1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4428 2.4609 1.2073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4885 3.1564 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2885 -1.7763 0.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1502 -4.2335 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3868 -1.1166 -2.1553 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3862 -1.1131 2.1557 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6137 -0.0962 -2.1609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6141 -0.0932 2.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4390 -4.0236 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4382 -4.0250 -0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6101 -5.1311 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3140 0.5404 -2.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 0.5422 2.1585 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4941 2.7082 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0152 2.9619 -0.0069 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 2.7051 -0.8991 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4771 3.0018 -2.1491 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4787 3.0035 2.1473 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 12 1 0 0 0 0 1 20 1 0 0 0 0 2 23 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 9 2 0 0 0 0 6 11 1 0 0 0 0 7 13 2 0 0 0 0 7 14 1 0 0 0 0 8 10 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 24 1 0 0 0 0 10 25 1 0 0 0 0 11 18 2 0 0 0 0 11 19 1 0 0 0 0 12 15 2 0 0 0 0 12 16 1 0 0 0 0 13 15 1 0 0 0 0 13 26 1 0 0 0 0 14 16 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 29 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 18 21 1 0 0 0 0 18 33 1 0 0 0 0 19 22 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 23 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$