B5AQ2J -OEChem-04022105092D 44 46 0 0 0 0 0 0 0999 V2000 7.3193 4.2078 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2120 4.5600 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.7791 7.6904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0895 7.3382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3763 1.1200 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 1.4722 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1914 6.8814 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0840 7.2336 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.5103 3.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 3.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5103 2.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 2.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7013 4.2078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5939 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0103 5.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9030 5.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0103 5.1588 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9030 5.5111 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6443 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 2.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3763 2.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2690 2.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6443 1.1200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5369 1.4722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5103 0.6200 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.9722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5981 5.9679 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4907 6.3201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1116 4.0162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0043 4.3684 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6459 5.6604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5385 6.0127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 2.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9133 2.4300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8059 2.7822 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1074 0.8100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 1.1622 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5103 0.0000 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4030 0.3522 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2147 5.9030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1074 6.2553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5270 8.2568 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8373 7.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 7 1 0 0 0 0 3 43 1 0 0 0 0 4 8 1 0 0 0 0 4 44 1 0 0 0 0 5 21 1 0 0 0 0 5 25 2 0 0 0 0 6 22 1 0 0 0 0 6 26 2 0 0 0 0 7 27 2 0 0 0 0 8 28 2 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 12 1 0 0 0 0 10 14 2 0 0 0 0 11 19 1 0 0 0 0 11 21 2 0 0 0 0 12 20 1 0 0 0 0 12 22 2 0 0 0 0 13 17 1 0 0 0 0 13 29 1 0 0 0 0 14 18 1 0 0 0 0 14 30 1 0 0 0 0 15 17 2 0 0 0 0 15 27 1 0 0 0 0 16 18 2 0 0 0 0 16 28 1 0 0 0 0 17 31 1 0 0 0 0 18 32 1 0 0 0 0 19 23 2 0 0 0 0 19 33 1 0 0 0 0 20 24 2 0 0 0 0 20 34 1 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 25 1 0 0 0 0 23 37 1 0 0 0 0 24 26 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 26 40 1 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$