B41KWB -OEChem-04022102233D 32 35 0 0 0 0 0 0 0999 V2000 0.3111 2.3584 0.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8759 -0.6377 -0.0041 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4227 0.1300 0.0027 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1821 -1.6350 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2164 -0.8190 -0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4674 1.3180 -0.0028 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.1910 0.1014 -0.0040 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.7933 1.3813 -0.0045 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9482 0.6919 0.0014 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0479 -1.2191 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2076 -0.6808 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5422 1.1518 0.0028 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7685 0.4886 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7737 -0.4084 0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1457 -2.2230 0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9979 1.6180 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5374 -1.1178 -0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4188 -1.8166 0.0029 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5875 -0.1985 -0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3174 1.1680 0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1620 -0.0069 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9002 0.3554 -0.0068 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9689 1.5554 0.0023 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8861 -3.2753 0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8075 2.6876 0.0031 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7575 -2.1833 -0.0022 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2072 -2.5627 0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0839 1.9354 0.0015 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8669 0.9656 -0.9158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8605 -0.1708 -0.0104 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8729 0.9642 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1723 -0.1557 -0.0047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 19 1 0 0 0 0 2 22 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 10 2 0 0 0 0 4 11 1 0 0 0 0 5 7 1 0 0 0 0 5 21 2 0 0 0 0 6 8 2 0 0 0 0 6 21 1 0 0 0 0 7 8 1 0 0 0 0 7 32 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 9 16 1 0 0 0 0 10 15 1 0 0 0 0 11 17 1 0 0 0 0 13 14 2 0 0 0 0 13 23 1 0 0 0 0 14 18 1 0 0 0 0 14 21 1 0 0 0 0 15 18 2 0 0 0 0 15 24 1 0 0 0 0 16 20 2 0 0 0 0 16 25 1 0 0 0 0 17 19 2 0 0 0 0 17 26 1 0 0 0 0 18 27 1 0 0 0 0 19 20 1 0 0 0 0 20 28 1 0 0 0 0 22 29 1 0 0 0 0 22 30 1 0 0 0 0 22 31 1 0 0 0 0 M END $$$$