BRL72F -OEChem-04022102383D 32 34 0 0 0 0 0 0 0999 V2000 -4.4977 -0.6714 -0.0069 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.1899 -2.5380 -1.0925 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.2035 -2.5331 1.0867 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.5217 -2.5327 0.0053 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7286 1.5001 0.0007 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3112 -0.4487 0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0167 -0.2307 0.0029 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8524 -0.0238 -0.0019 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6547 1.7670 0.0012 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6459 2.2972 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7512 0.3783 0.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5025 0.1706 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7794 2.6102 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7827 3.6832 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6666 -0.6764 0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6136 3.9916 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3309 4.5284 -0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5473 -2.0589 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3107 -1.5939 0.0041 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7138 -2.8156 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7950 -1.8328 -0.0018 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9645 -0.7925 -0.0032 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9495 -2.1780 -0.0021 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8015 2.2478 0.0014 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7759 4.1285 -0.0019 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8270 0.3775 0.0018 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4793 4.6468 -0.0012 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1924 5.6057 -0.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5915 -2.5724 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6606 -3.9002 0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9025 -0.2471 -0.0052 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8718 -2.7477 -0.0032 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 21 1 0 0 0 0 3 21 1 0 0 0 0 4 19 2 0 0 0 0 5 10 1 0 0 0 0 5 12 2 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 11 1 0 0 0 0 7 19 1 0 0 0 0 7 26 1 0 0 0 0 8 15 1 0 0 0 0 8 22 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 14 2 0 0 0 0 12 15 1 0 0 0 0 13 16 1 0 0 0 0 13 24 1 0 0 0 0 14 17 1 0 0 0 0 14 25 1 0 0 0 0 15 18 2 0 0 0 0 16 17 2 0 0 0 0 16 27 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 21 1 0 0 0 0 20 23 2 0 0 0 0 20 30 1 0 0 0 0 22 23 1 0 0 0 0 22 31 1 0 0 0 0 23 32 1 0 0 0 0 M END $$$$