BEST82 -OEChem-04022104543D 59 61 0 1 0 0 0 0 0999 V2000 -0.5562 -4.8666 0.1277 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5408 0.8773 -0.4226 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6105 -0.2619 1.3288 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3792 -1.6531 0.5321 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2660 0.4739 0.2561 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7563 3.7967 -0.3430 N 0 0 0 0 0 0 0 0 0 0 0 0 3.6441 -0.2759 -0.8082 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9052 -0.9714 1.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4055 -1.7065 -0.5143 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3389 0.4591 1.3912 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8574 -0.3022 -0.9209 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9216 -2.9998 0.8729 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9826 -3.5470 -0.2093 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.0968 1.5829 0.0563 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2460 -2.6785 -0.3675 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3408 1.4236 -0.5443 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6818 2.8478 0.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5439 -2.1121 -1.6069 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0807 -2.4439 0.7253 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6764 -1.3111 -1.7535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2131 -1.6428 0.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1255 2.5520 -0.7197 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5409 3.9125 0.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5110 -1.0765 -0.6609 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5628 2.2026 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5916 0.0737 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5919 1.3241 0.4419 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6992 2.7057 0.5497 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6427 3.6175 -0.2183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7563 -1.5263 2.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1351 -0.9206 2.4986 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0312 -2.1958 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2772 -2.2811 -0.1722 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8124 0.8839 2.2852 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4535 1.0636 1.1558 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0382 0.2227 -1.4294 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6738 -0.4039 -1.6450 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3977 -3.0011 1.8379 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7660 -3.6877 1.0192 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5006 -3.6420 -1.1690 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7093 0.4532 -0.8592 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7182 3.0336 0.9183 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3532 -5.4144 0.2297 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0977 -2.2850 -2.4668 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8751 -2.8866 1.6959 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8962 -0.8758 -2.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8137 -1.5086 1.4676 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1055 2.4809 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2630 4.9200 0.5289 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8007 0.1039 -1.7388 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9639 1.6374 -1.1863 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0150 3.0483 -0.7700 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1194 0.4514 0.8449 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1551 1.8936 1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2642 1.8556 0.9493 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2898 3.2544 1.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 4.4961 -0.6016 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0939 3.0909 -1.0653 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4495 3.9648 0.4348 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 43 1 0 0 0 0 2 26 1 0 0 0 0 2 27 1 0 0 0 0 3 26 2 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 12 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 14 1 0 0 0 0 6 22 2 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 26 1 0 0 0 0 7 50 1 0 0 0 0 8 10 1 0 0 0 0 8 30 1 0 0 0 0 8 31 1 0 0 0 0 9 11 1 0 0 0 0 9 32 1 0 0 0 0 9 33 1 0 0 0 0 10 34 1 0 0 0 0 10 35 1 0 0 0 0 11 36 1 0 0 0 0 11 37 1 0 0 0 0 12 13 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 15 1 0 0 0 0 13 40 1 0 0 0 0 14 16 2 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 22 1 0 0 0 0 16 41 1 0 0 0 0 17 23 2 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 44 1 0 0 0 0 19 21 2 0 0 0 0 19 45 1 0 0 0 0 20 24 2 0 0 0 0 20 46 1 0 0 0 0 21 24 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 23 49 1 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 25 51 1 0 0 0 0 25 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 29 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 29 57 1 0 0 0 0 29 58 1 0 0 0 0 29 59 1 0 0 0 0 M END $$$$