B82OYQ -OEChem-04022115093D 41 42 0 0 0 0 0 0 0999 V2000 -3.1012 1.7329 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9401 -2.7973 0.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2784 4.1471 0.0029 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3403 -2.1521 -0.0035 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7294 -0.3530 -0.0014 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3390 -0.9117 -0.0015 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2304 1.7905 -0.0012 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4244 1.3083 0.0001 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4215 0.1658 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8654 1.4881 -0.0011 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8689 0.9348 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0543 -0.1108 -0.0002 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3327 -3.0942 -0.0024 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 -4.6039 -0.0027 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9423 2.5337 -0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4249 2.2571 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0488 -2.2734 -0.0016 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2830 0.6495 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4041 -5.3931 -0.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0345 -0.4957 0.0008 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3593 -0.0260 0.0007 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8338 3.0534 -0.0009 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3386 2.9515 -0.0010 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5656 -0.8016 -0.0013 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3434 -1.1136 -0.0020 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9146 -2.8119 -0.8885 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9157 -2.8122 0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3228 -0.6659 -0.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5119 -4.8871 0.8771 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5102 -4.8865 -0.8814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2005 3.5826 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1147 3.0974 -0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8694 1.0031 -0.0013 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0007 -5.1609 -0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1964 -6.4676 -0.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0021 -5.1614 0.8831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6824 -1.5172 0.0007 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6732 2.3981 -0.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6744 2.4363 0.9033 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7778 3.9527 -0.0236 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1799 -2.6596 -0.0050 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 18 1 0 0 0 0 2 17 2 0 0 0 0 3 22 2 0 0 0 0 4 24 1 0 0 0 0 4 41 1 0 0 0 0 5 24 2 0 0 0 0 6 9 1 0 0 0 0 6 17 1 0 0 0 0 6 28 1 0 0 0 0 7 10 1 0 0 0 0 7 22 1 0 0 0 0 7 33 1 0 0 0 0 8 21 2 0 0 0 0 9 10 2 0 0 0 0 9 12 1 0 0 0 0 10 15 1 0 0 0 0 11 12 2 0 0 0 0 11 16 1 0 0 0 0 11 18 1 0 0 0 0 12 25 1 0 0 0 0 13 14 1 0 0 0 0 13 17 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 19 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 15 16 2 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 18 20 2 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 19 36 1 0 0 0 0 20 21 1 0 0 0 0 20 37 1 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 M END $$$$