B5QEJ4 -OEChem-04012112543D 58 60 0 0 0 0 0 0 0999 V2000 3.7467 -0.6921 -2.0834 S 0 0 0 0 0 0 0 0 0 0 0 0 0.8333 3.4998 -1.2786 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5499 -0.9380 0.7989 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9718 -0.3203 2.9793 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4922 -3.5032 0.1075 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0417 -2.4681 -0.2598 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5852 4.8818 0.9367 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9887 -0.3139 -3.2662 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0878 -0.1639 -1.8817 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6627 0.9684 0.0520 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7558 0.0899 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 2.3470 -0.0545 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6938 0.4718 0.2435 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0557 0.6172 -0.2116 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1271 2.8655 -0.2385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2244 2.0075 -0.3167 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4758 0.1647 -0.8635 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7743 -0.3105 -0.6800 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5872 -1.3004 0.0802 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3142 3.2890 0.0262 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1908 0.3106 1.5313 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1489 -0.2612 -0.2883 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3550 4.3374 -0.3560 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2811 -0.4750 0.6092 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6845 -2.1583 0.0019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4892 -0.1645 1.7148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9628 -1.6398 -0.1819 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8762 -2.4649 -2.0579 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4514 -0.0846 1.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7626 -1.5865 3.6014 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2510 -4.2200 -1.1015 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7048 -2.7854 0.9623 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2218 2.4205 -0.4582 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0635 0.2947 -1.8607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6087 -1.7521 0.2256 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0559 4.2561 0.4672 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1249 2.9226 0.6614 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5798 0.5514 2.3984 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1548 0.1293 -0.4328 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5398 4.8769 -0.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2442 4.5385 -0.9653 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4365 -2.7737 -2.9432 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4061 -2.7826 -1.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8721 -2.8927 -2.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5251 2.7978 -1.8754 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1808 4.2869 1.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4481 -0.2237 1.0703 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4963 -0.3705 2.5541 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1834 0.9732 1.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2387 -2.3843 3.0227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6921 -1.7879 3.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2154 -1.5583 4.5962 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1249 -5.2774 -0.8535 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3357 -3.8618 -1.5833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0998 -4.1197 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0219 -3.2928 1.6511 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5367 -3.4579 0.7361 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1041 -1.8789 1.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 18 1 0 0 0 0 1 28 1 0 0 0 0 2 20 1 0 0 0 0 2 45 1 0 0 0 0 3 24 1 0 0 0 0 3 29 1 0 0 0 0 4 26 1 0 0 0 0 4 30 1 0 0 0 0 5 25 1 0 0 0 0 5 31 1 0 0 0 0 6 27 1 0 0 0 0 6 32 1 0 0 0 0 7 23 1 0 0 0 0 7 46 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 13 1 0 0 0 0 11 14 1 0 0 0 0 11 19 1 0 0 0 0 12 15 2 0 0 0 0 12 20 1 0 0 0 0 13 17 1 0 0 0 0 13 21 2 0 0 0 0 14 16 2 0 0 0 0 14 22 1 0 0 0 0 15 16 1 0 0 0 0 15 23 1 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 24 1 0 0 0 0 19 25 2 0 0 0 0 19 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 26 1 0 0 0 0 21 38 1 0 0 0 0 22 27 2 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 28 42 1 0 0 0 0 28 43 1 0 0 0 0 28 44 1 0 0 0 0 29 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 30 51 1 0 0 0 0 30 52 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 32 56 1 0 0 0 0 32 57 1 0 0 0 0 32 58 1 0 0 0 0 M END $$$$