B6DV5R -OEChem-04012114173D 42 44 0 0 0 0 0 0 0999 V2000 0.6970 2.6024 0.0022 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3998 2.3216 0.0022 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2911 -0.0089 0.0009 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1866 -1.2034 0.0005 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7883 -2.0090 -0.0022 N 0 0 0 0 0 0 0 0 0 0 0 0 3.3325 2.2030 0.0011 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7375 -0.1629 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2035 -0.9088 1.2593 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2038 -0.9030 -1.2639 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7406 1.2848 0.0023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3002 1.2323 0.0017 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4198 0.0650 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8287 0.2683 0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -1.1521 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7699 -0.2223 2.5485 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7668 -0.2098 -2.5484 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1085 1.6343 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9351 -0.6057 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2166 -0.0640 -0.0006 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3479 1.3134 0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7122 -2.7395 1.2470 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6980 -2.7359 -1.2526 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2121 0.8260 0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2993 -0.9657 1.2510 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8454 -1.9445 1.2728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2997 -0.9588 -1.2571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8459 -1.9388 -1.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0394 -2.1011 -0.0005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6828 -0.2402 2.6718 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1043 0.8198 2.5699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2084 -0.7349 3.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0997 0.8329 -2.5646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6796 -0.2288 -2.6701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2047 -0.7169 -3.4143 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0985 -0.6968 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3376 1.7620 0.0004 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0415 -2.2394 1.9543 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7045 -2.8106 1.7045 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3323 -3.7564 1.1029 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5436 -2.4893 -1.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7723 -2.4839 -1.7799 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7113 -3.8199 -1.0981 H 0 0 0 0 0 0 0 0 0 0 0 0 1 11 1 0 0 0 0 1 17 1 0 0 0 0 2 10 2 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 3 14 1 0 0 0 0 4 12 1 0 0 0 0 4 14 2 0 0 0 0 5 18 1 0 0 0 0 5 21 1 0 0 0 0 5 22 1 0 0 0 0 6 17 2 0 0 0 0 6 20 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 8 15 1 0 0 0 0 8 24 1 0 0 0 0 8 25 1 0 0 0 0 9 16 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 11 1 0 0 0 0 11 12 2 0 0 0 0 12 13 1 0 0 0 0 13 17 1 0 0 0 0 13 18 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 18 19 1 0 0 0 0 19 20 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 21 39 1 0 0 0 0 22 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$