B93ERY -OEChem-04022105013D 49 52 0 1 0 0 0 0 0999 V2000 1.0126 0.7148 -1.3003 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4350 -1.8939 1.6666 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2713 0.3043 -1.8926 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2009 0.7115 -2.0944 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1504 0.1644 -1.8332 O 0 5 0 0 0 0 0 0 0 0 0 0 -5.6767 -1.9780 -1.9028 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6079 -2.1964 3.8044 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8763 -1.0220 -0.0837 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3850 -0.7989 -1.5878 N 0 3 0 0 0 0 0 0 0 0 0 0 -2.0302 0.2552 4.2346 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4199 0.2124 1.0455 C 0 0 1 0 0 0 0 0 0 0 0 0 0.7381 -0.1764 0.1561 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7244 -0.0533 0.3531 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3770 -0.5058 2.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5704 -1.1807 0.4838 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2435 2.3559 -0.6811 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5113 -1.4968 2.6327 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5914 1.0020 0.0705 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0703 -1.3557 -0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6925 -1.6289 -0.3248 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 0.7550 -0.5725 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2832 -1.6027 -0.6502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5210 2.7986 -0.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1474 3.2053 -0.5309 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1502 -0.5473 -0.9328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2902 -0.0856 3.4088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5087 -2.6213 -1.2740 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7024 4.0907 0.1550 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3287 4.4974 -0.0377 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6062 4.9402 0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6109 -3.0163 -2.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9247 -1.4322 -0.8322 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8455 -2.4154 -1.8052 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3279 1.2780 1.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3672 2.0149 0.3872 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4124 -2.1952 0.2006 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4600 1.6001 -0.7666 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 -2.6298 -0.9165 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3877 2.1517 -0.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8446 2.9081 -0.8435 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0103 -2.0001 4.5808 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3102 -2.9208 3.8835 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5417 -3.0854 -1.4398 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6968 4.4352 0.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5229 5.1632 0.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7477 5.9471 0.6867 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5077 -3.7907 -2.7783 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8645 -0.9320 -0.6231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7180 -2.7071 -2.3783 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 16 1 0 0 0 0 2 15 1 0 0 0 0 2 17 1 0 0 0 0 5 9 1 0 0 0 0 6 9 2 0 0 0 0 7 17 1 0 0 0 0 7 41 1 0 0 0 0 7 42 1 0 0 0 0 8 20 1 0 0 0 0 8 32 2 0 0 0 0 9 25 1 0 0 0 0 10 26 3 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 34 1 0 0 0 0 12 15 2 0 0 0 0 13 18 2 0 0 0 0 13 19 1 0 0 0 0 14 17 2 0 0 0 0 14 26 1 0 0 0 0 15 20 1 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 18 21 1 0 0 0 0 18 35 1 0 0 0 0 19 22 2 0 0 0 0 19 36 1 0 0 0 0 20 27 2 0 0 0 0 21 25 2 0 0 0 0 21 37 1 0 0 0 0 22 25 1 0 0 0 0 22 38 1 0 0 0 0 23 28 1 0 0 0 0 23 39 1 0 0 0 0 24 29 2 0 0 0 0 24 40 1 0 0 0 0 27 31 1 0 0 0 0 27 43 1 0 0 0 0 28 30 2 0 0 0 0 28 44 1 0 0 0 0 29 30 1 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 33 2 0 0 0 0 31 47 1 0 0 0 0 32 33 1 0 0 0 0 32 48 1 0 0 0 0 33 49 1 0 0 0 0 M CHG 2 5 -1 9 1 M END $$$$