B53PFR -OEChem-04022108383D 39 42 0 0 0 0 0 0 0999 V2000 -2.0961 2.4659 -0.0017 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2881 -2.7432 0.0010 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4550 2.0048 -0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4534 -0.8265 0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2709 0.2422 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5935 -1.1165 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7482 0.8302 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -0.5285 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3365 1.2652 -0.0015 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0710 0.6412 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0051 -1.5515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0837 -0.3183 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5739 -2.0762 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7620 -1.6742 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7678 1.7898 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4127 -0.9276 0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1038 1.3877 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4255 0.0319 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4938 0.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7655 -0.3233 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4100 -0.0741 1.2086 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4105 -0.0772 -1.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7120 0.4262 1.2083 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7126 0.4231 -1.2077 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3633 0.6748 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7992 -3.1393 -0.0008 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5266 -2.4465 -0.0009 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5460 2.8536 -0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6898 -1.9784 0.0024 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8943 2.1327 0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4665 -0.2785 0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7780 1.1171 -0.0125 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3980 2.3112 0.1741 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2586 2.7199 -0.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9102 -0.2654 2.1544 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9112 -0.2708 -2.1529 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2188 0.6221 2.1487 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2200 0.6166 -2.1483 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3771 1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 2 0 0 0 0 2 11 2 0 0 0 0 3 10 1 0 0 0 0 3 33 1 0 0 0 0 3 34 1 0 0 0 0 4 19 2 0 0 0 0 4 20 1 0 0 0 0 5 6 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 6 11 1 0 0 0 0 6 13 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 15 2 0 0 0 0 8 11 1 0 0 0 0 8 16 2 0 0 0 0 10 12 2 0 0 0 0 12 14 1 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 17 1 0 0 0 0 15 28 1 0 0 0 0 16 18 1 0 0 0 0 16 29 1 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 22 36 1 0 0 0 0 23 25 2 0 0 0 0 23 37 1 0 0 0 0 24 25 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 M END $$$$