B8KEA6 -OEChem-04012118242D 47 50 0 0 0 0 0 0 0999 V2000 7.3495 2.8516 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 0.1439 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.1349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.5932 2.9449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6349 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.7272 1.4449 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.1349 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7891 0.4529 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0981 1.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 1.4040 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4071 0.4529 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6859 2.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6804 2.1085 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2631 2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1291 2.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1804 1.2424 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5103 2.2130 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1585 1.4504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9951 2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1291 3.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.6349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8611 2.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9951 4.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8611 3.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.1349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7272 2.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4337 2.7794 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9282 0.6760 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0119 2.5774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1459 2.7146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0087 1.8486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6193 1.0355 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.3249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9951 1.8249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5922 4.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -2.9449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -3.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9951 5.0649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3981 4.2549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.4449 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1301 2.6349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 15 1 0 0 0 0 2 11 2 0 0 0 0 3 30 1 0 0 0 0 3 46 1 0 0 0 0 4 31 1 0 0 0 0 4 47 1 0 0 0 0 5 30 2 0 0 0 0 6 31 2 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 13 2 0 0 0 0 10 18 1 0 0 0 0 12 19 1 0 0 0 0 12 21 2 0 0 0 0 13 14 1 0 0 0 0 13 32 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 16 23 2 0 0 0 0 16 24 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 18 36 1 0 0 0 0 19 22 2 0 0 0 0 19 38 1 0 0 0 0 20 37 1 0 0 0 0 21 25 1 0 0 0 0 21 39 1 0 0 0 0 22 26 1 0 0 0 0 22 30 1 0 0 0 0 23 27 1 0 0 0 0 23 40 1 0 0 0 0 24 28 2 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 27 31 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 29 45 1 0 0 0 0 M END $$$$