LEG2R4 -OEChem-05022323023D 43 45 0 0 0 0 0 0 0999 V2000 -6.4892 -0.6978 -0.3681 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1535 -0.7440 1.7166 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8435 2.3889 -1.6417 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3593 -0.1777 -0.6555 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4120 0.3744 -0.0230 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5179 -1.2739 -1.7052 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4066 0.7270 -1.1675 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6567 0.9513 0.1941 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 1.1508 0.7735 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.6547 -1.9569 0.7750 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6278 -0.2975 -0.1767 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9409 -0.1155 0.5933 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6525 -1.7039 -0.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 -1.3664 0.2844 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7132 -2.4385 0.0291 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4021 -0.0845 0.7151 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2433 1.4651 -0.9448 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4229 1.4376 0.7786 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2337 0.6935 0.1989 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2667 0.7115 0.5014 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3458 1.2840 1.1749 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4863 -0.2944 -0.4397 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8637 -0.1555 -0.0334 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6442 0.8505 0.9077 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7848 -0.7281 -0.7070 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4910 0.7853 0.2996 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7659 -0.0532 1.6740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6870 -2.2184 -0.7310 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9584 -1.6714 -1.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4364 -1.6303 1.1015 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3607 -1.2057 -0.6181 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1218 -3.2993 -0.5078 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2917 -2.7927 0.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0324 0.9006 -1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4488 1.2810 1.8621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3159 2.5047 0.5574 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8768 1.8869 1.4728 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 2.0676 1.9117 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7033 -0.7862 -0.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4690 1.3057 1.4487 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9334 -1.5173 -1.4387 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2811 -1.7967 1.5734 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6687 -2.9219 0.4229 H 0 0 0 0 0 0 0 0 0 0 0 0 1 5 2 0 0 0 0 1 6 2 0 0 0 0 1 10 1 0 0 0 0 1 23 1 0 0 0 0 2 16 2 0 0 0 0 3 17 2 0 0 0 0 4 19 2 0 0 0 0 7 11 1 0 0 0 0 7 17 1 0 0 0 0 7 34 1 0 0 0 0 8 16 1 0 0 0 0 8 17 1 0 0 0 0 8 18 1 0 0 0 0 9 19 1 0 0 0 0 9 20 1 0 0 0 0 9 37 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 16 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 15 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 15 33 1 0 0 0 0 18 19 1 0 0 0 0 18 35 1 0 0 0 0 18 36 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 38 1 0 0 0 0 22 25 2 0 0 0 0 22 39 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$