BIJ50B -OEChem-04022104463D 58 61 0 0 0 0 0 0 0999 V2000 -5.9603 -2.7513 1.7090 S 0 0 0 0 0 0 0 0 0 0 0 0 8.5540 -1.0353 -1.6617 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7628 1.3453 0.3809 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1629 -1.3593 1.7140 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9831 -0.0265 1.7344 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4288 0.6027 1.4153 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0398 -0.1987 -0.4123 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4407 1.8264 -0.3733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0835 1.3457 -0.7623 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5683 1.4395 0.7038 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2994 0.9895 0.3391 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8509 3.1134 -0.7211 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9785 2.7265 0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0635 0.9615 0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1197 3.5634 -0.3564 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7137 0.1865 -0.2129 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9521 0.9364 1.2605 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5001 0.5991 -1.0885 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1931 -0.7062 1.8593 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3752 -1.2909 2.6019 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2771 0.5490 1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8252 0.2116 -1.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3913 -2.0520 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6969 -0.5090 -1.2055 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3615 -1.0533 0.0342 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7565 -2.5063 -1.0381 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0621 -0.9632 -2.3614 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0919 -1.9619 -2.2777 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0663 -0.2814 0.5378 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7345 0.5585 -1.2958 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3912 -0.6998 0.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5775 -0.8699 0.6888 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6340 -1.2806 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2152 -1.4093 -1.4801 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1830 0.3331 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3156 2.0128 -1.5377 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9229 0.0039 0.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1926 3.7784 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9648 3.0902 0.6329 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4389 4.5657 -0.6269 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3377 1.0064 1.6307 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6162 1.2186 2.2548 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8667 0.5902 -1.9686 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0382 -1.5882 3.6000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1867 -0.5697 2.7303 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9024 0.5557 1.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1529 -0.0690 -2.2858 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8691 -0.6976 0.9280 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 -0.4440 -1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9972 -3.2830 -0.9920 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3152 -0.5486 -3.3335 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5976 -2.3155 -3.1778 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7314 0.1100 -1.3498 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5854 1.1852 -2.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6917 1.2209 -0.4244 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6906 -0.7092 1.7535 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6497 -1.4722 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8051 -1.7049 -2.3362 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 23 1 0 0 0 0 2 31 1 0 0 0 0 2 34 1 0 0 0 0 3 9 1 0 0 0 0 3 14 1 0 0 0 0 4 19 2 0 0 0 0 5 29 2 0 0 0 0 6 10 1 0 0 0 0 6 19 1 0 0 0 0 6 41 1 0 0 0 0 7 16 1 0 0 0 0 7 29 1 0 0 0 0 7 49 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 8 12 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 11 1 0 0 0 0 10 13 2 0 0 0 0 11 37 1 0 0 0 0 12 15 2 0 0 0 0 12 38 1 0 0 0 0 13 15 1 0 0 0 0 13 39 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 40 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 21 1 0 0 0 0 17 42 1 0 0 0 0 18 22 2 0 0 0 0 18 43 1 0 0 0 0 19 20 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 47 1 0 0 0 0 23 25 1 0 0 0 0 23 26 2 0 0 0 0 24 25 2 0 0 0 0 24 27 1 0 0 0 0 24 30 1 0 0 0 0 25 48 1 0 0 0 0 26 28 1 0 0 0 0 26 50 1 0 0 0 0 27 28 2 0 0 0 0 27 51 1 0 0 0 0 28 52 1 0 0 0 0 29 31 1 0 0 0 0 30 53 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 31 32 2 0 0 0 0 32 33 1 0 0 0 0 32 56 1 0 0 0 0 33 34 2 0 0 0 0 33 57 1 0 0 0 0 34 58 1 0 0 0 0 M END $$$$