BU4JI2 -OEChem-04012114542D 64 66 0 0 0 0 0 0 0999 V2000 5.5900 2.4132 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2651 -2.2246 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5933 -2.7413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 1.3333 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8231 -1.3239 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 -1.8832 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1369 -0.7279 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.8613 -2.7346 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6123 2.1152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 0.4024 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 0.7005 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2246 1.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 1.9661 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8816 0.2534 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4142 -0.2004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8231 0.9231 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 0.2996 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6049 -0.7004 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8481 -1.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5163 -0.6775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4988 0.8342 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4988 -1.2351 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4049 -0.7213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4049 0.3204 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2690 -1.2246 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0010 -1.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8690 -0.7346 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9972 -2.2313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7331 -1.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.7292 -2.2379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.4613 -2.2446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.3253 -2.7479 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1568 2.4117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4149 2.7029 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8550 -0.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4782 0.2796 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0790 1.6696 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8210 1.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8971 0.8732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2739 0.3763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 0.1861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -0.5870 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9610 1.5275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4847 3.1345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6134 3.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5153 2.3614 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9392 -0.4510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2898 -1.2546 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0934 -0.9040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 1.4542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4917 -1.8551 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9406 0.6324 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6116 -1.7908 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4512 -2.4604 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1393 -0.1079 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8714 -0.1146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4590 -2.5392 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2712 -0.9300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.8616 -1.7712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0646 -1.7681 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.0133 -3.2837 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.8611 -3.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.6374 -2.2122 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 26 2 0 0 0 0 3 31 1 0 0 0 0 3 32 1 0 0 0 0 4 9 1 0 0 0 0 4 10 1 0 0 0 0 4 12 1 0 0 0 0 5 18 1 0 0 0 0 5 19 2 0 0 0 0 6 19 1 0 0 0 0 6 54 1 0 0 0 0 6 55 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 56 1 0 0 0 0 8 29 1 0 0 0 0 8 31 2 0 0 0 0 9 13 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 14 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 16 2 0 0 0 0 13 20 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 21 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 15 19 1 0 0 0 0 15 42 1 0 0 0 0 15 43 1 0 0 0 0 16 17 1 0 0 0 0 16 44 1 0 0 0 0 17 18 2 0 0 0 0 17 22 1 0 0 0 0 18 23 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 48 1 0 0 0 0 21 49 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 52 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 53 1 0 0 0 0 27 28 1 0 0 0 0 27 29 2 0 0 0 0 28 30 2 0 0 0 0 28 57 1 0 0 0 0 29 58 1 0 0 0 0 30 31 1 0 0 0 0 30 59 1 0 0 0 0 32 33 1 0 0 0 0 32 60 1 0 0 0 0 32 61 1 0 0 0 0 33 62 1 0 0 0 0 33 63 1 0 0 0 0 33 64 1 0 0 0 0 M END $$$$