BJ9E3I -OEChem-04012117562D 57 59 0 1 0 0 0 0 0999 V2000 13.2583 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 0.5670 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -0.9330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -2.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -3.4330 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -1.9330 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.0670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0263 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0263 3.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3923 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6603 -0.9330 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.7942 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7942 -2.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0622 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -0.9330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0029 1.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6044 2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4482 2.6496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0497 1.9593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5632 3.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3363 3.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4893 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5632 3.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7163 3.9700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4893 3.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7383 -1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1369 -0.3254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.2430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1928 0.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3957 0.0419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2573 -2.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5263 -3.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 0.8770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.5530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 1.6870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7932 -0.7430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0530 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.1870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 0.7570 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 18 1 0 0 0 0 3 20 1 0 0 0 0 4 7 1 0 0 0 0 4 49 1 0 0 0 0 5 19 2 0 0 0 0 6 14 1 0 0 0 0 6 15 1 0 0 0 0 6 16 1 0 0 0 0 7 17 1 0 0 0 0 7 19 1 0 0 0 0 8 32 3 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 15 1 0 0 0 0 11 35 1 0 0 0 0 11 36 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 18 1 0 0 0 0 17 45 1 0 0 0 0 18 46 1 0 0 0 0 18 47 1 0 0 0 0 19 48 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 21 24 1 0 0 0 0 21 50 1 0 0 0 0 22 25 2 0 0 0 0 22 51 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 23 26 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 54 1 0 0 0 0 28 30 2 0 0 0 0 28 55 1 0 0 0 0 29 31 2 0 0 0 0 29 56 1 0 0 0 0 30 31 1 0 0 0 0 30 57 1 0 0 0 0 31 32 1 0 0 0 0 M END $$$$