BJ3I5E -OEChem-04022103272D 60 64 0 1 0 0 0 0 0999 V2000 10.1961 0.1007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.6698 -2.9234 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 -1.8993 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1540 -1.8437 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.7980 -1.4268 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.1961 -1.8993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0660 -1.4335 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 3.9576 -0.4394 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9787 -0.2352 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4820 -1.1032 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9339 -1.9301 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9499 -2.8227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6660 -1.9235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 -1.4201 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4361 -1.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5300 -0.3785 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3300 -1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3300 -0.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4361 0.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0621 -0.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0621 -1.3993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 1.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 0.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7942 2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0621 1.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6881 1.0660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 3.1007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0621 2.6007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6881 3.1354 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5942 1.5799 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5942 2.6215 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0359 -2.0528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5776 -0.4370 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0200 0.1775 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1680 0.3552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4113 0.0148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9790 -0.7407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0689 -1.5655 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5372 -2.4066 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3343 -2.4035 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0385 -3.4363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5696 -2.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7956 -0.8068 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8061 -2.5464 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4111 -3.3292 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1939 -3.7243 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4433 -2.5539 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9943 -0.0664 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4433 0.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1961 -2.5193 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4651 -0.2093 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5252 1.2907 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6809 0.4461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9281 3.7207 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5252 2.9107 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6809 3.7553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1299 1.2678 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1299 2.9336 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 21 1 0 0 0 0 2 14 2 0 0 0 0 3 22 2 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 5 45 1 0 0 0 0 6 18 1 0 0 0 0 6 22 1 0 0 0 0 6 52 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 7 34 1 0 0 0 0 8 9 1 0 0 0 0 8 35 1 0 0 0 0 8 36 1 0 0 0 0 9 10 1 0 0 0 0 9 37 1 0 0 0 0 9 38 1 0 0 0 0 10 39 1 0 0 0 0 10 40 1 0 0 0 0 11 41 1 0 0 0 0 11 42 1 0 0 0 0 12 13 1 0 0 0 0 12 43 1 0 0 0 0 12 44 1 0 0 0 0 13 46 1 0 0 0 0 13 47 1 0 0 0 0 13 48 1 0 0 0 0 14 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 16 49 1 0 0 0 0 17 20 2 0 0 0 0 17 50 1 0 0 0 0 18 19 2 0 0 0 0 19 20 1 0 0 0 0 20 51 1 0 0 0 0 21 22 1 0 0 0 0 21 25 2 0 0 0 0 23 24 1 0 0 0 0 23 25 1 0 0 0 0 23 27 2 0 0 0 0 24 26 1 0 0 0 0 24 28 2 0 0 0 0 25 53 1 0 0 0 0 26 29 1 0 0 0 0 26 31 2 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 28 32 1 0 0 0 0 28 55 1 0 0 0 0 29 30 2 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 33 1 0 0 0 0 31 58 1 0 0 0 0 32 33 2 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 M END $$$$