L6RK7H -OEChem-05032300043D 54 58 0 0 0 0 0 0 0999 V2000 1.1023 0.5939 -0.8814 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2980 -0.7656 -1.1313 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7045 2.4884 0.4908 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7124 -0.5362 -0.4542 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5021 3.1088 1.4212 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0199 -1.2266 0.5589 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5616 1.1627 -1.3074 N 0 0 0 0 0 0 0 0 0 0 0 0 8.5980 -2.9002 -0.0324 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.5085 -0.6965 -0.3442 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7671 1.4098 0.6520 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8810 0.4880 0.4422 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4242 1.4084 -0.0318 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6086 2.9348 0.2250 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8558 -1.2945 -0.5187 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7011 2.4701 1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1508 0.3936 0.9675 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7717 -0.7286 0.3661 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4043 2.2545 -0.6970 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 2.6962 -0.9591 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1100 4.0569 0.8850 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5516 1.9690 -1.9447 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1776 -2.4248 -1.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2026 3.8182 -0.2991 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4071 4.4984 0.6231 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4545 -2.9444 -1.0798 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3086 -2.3222 -0.1794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3573 -0.1733 -0.9395 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7073 -2.0024 0.1615 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9342 -2.3521 0.7256 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6765 -2.9400 0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1304 -3.6396 1.2255 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8727 -4.2274 0.5972 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0997 -4.5772 1.1611 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8758 -0.7162 -0.9927 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4452 2.8165 2.1692 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5853 1.0574 1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1182 3.5159 2.2640 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0481 1.3779 -1.2252 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5250 4.6237 1.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0655 2.6852 -2.5965 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9436 1.3321 -2.5978 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4754 -2.8751 -1.9601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2113 4.1722 -0.4952 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7974 5.3732 1.1350 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7616 -3.8241 -1.6382 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4570 1.5931 -1.0974 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7006 -3.8944 -0.1956 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2249 -2.4557 0.6270 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3047 -0.0694 -0.2614 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7456 -1.6310 0.7821 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7003 -2.7447 -0.3233 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0856 -3.9120 1.6648 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0708 -4.9585 0.5481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2524 -5.5796 1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 27 2 0 0 0 0 3 5 1 0 0 0 0 3 12 1 0 0 0 0 3 13 1 0 0 0 0 4 11 1 0 0 0 0 4 14 1 0 0 0 0 4 34 1 0 0 0 0 5 15 1 0 0 0 0 5 37 1 0 0 0 0 6 17 1 0 0 0 0 6 26 2 0 0 0 0 7 21 1 0 0 0 0 7 27 1 0 0 0 0 7 46 1 0 0 0 0 8 26 1 0 0 0 0 8 47 1 0 0 0 0 8 48 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 9 49 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 16 2 0 0 0 0 13 18 1 0 0 0 0 13 20 2 0 0 0 0 14 17 2 0 0 0 0 14 22 1 0 0 0 0 15 35 1 0 0 0 0 16 17 1 0 0 0 0 16 36 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 21 40 1 0 0 0 0 21 41 1 0 0 0 0 22 25 2 0 0 0 0 22 42 1 0 0 0 0 23 24 2 0 0 0 0 23 43 1 0 0 0 0 24 44 1 0 0 0 0 25 26 1 0 0 0 0 25 45 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 29 50 1 0 0 0 0 30 32 2 0 0 0 0 30 51 1 0 0 0 0 31 33 2 0 0 0 0 31 52 1 0 0 0 0 32 33 1 0 0 0 0 32 53 1 0 0 0 0 33 54 1 0 0 0 0 M END $$$$