B3XRK6 -OEChem-04022110013D 71 74 0 1 0 0 0 0 0999 V2000 -0.5866 1.6048 -2.5695 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9136 -1.4582 1.4596 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2466 -0.2625 0.8082 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0224 -1.5074 -2.0477 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6111 1.0364 -3.4234 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7886 1.1530 -2.6592 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3666 -1.7345 -0.8692 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0734 1.5158 -0.9390 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0120 -2.7493 -0.3455 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3665 3.0495 -0.0937 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8187 3.0399 1.8133 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6981 4.3815 1.8301 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6274 -2.7557 -0.5663 C 0 0 1 0 0 0 0 0 0 0 0 0 0.1585 -3.9904 -1.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2481 -2.1624 -1.9524 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5874 -3.4073 -2.5246 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7060 0.2710 -0.4456 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.5189 -0.5918 -0.0994 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5820 0.5598 0.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9452 -2.2548 -1.0761 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7548 1.4904 0.4902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0639 -0.7010 1.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3901 -2.4358 -0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2483 2.3338 1.4856 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2713 -1.2936 1.1360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3325 1.4973 -0.7793 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2968 -1.2598 2.5276 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5842 3.3659 -2.8158 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3196 3.1842 1.2115 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7118 -2.4451 1.7885 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4036 2.3476 -1.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7371 -2.4112 3.1802 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8740 -1.2375 0.1169 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8973 3.1909 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9446 -3.0039 2.8108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5952 0.0927 -0.1077 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2439 0.9420 0.8347 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9934 0.2285 1.7439 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1517 2.3775 0.8666 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6684 -2.9219 0.5158 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5435 -4.5626 -0.7081 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9709 -4.6576 -1.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3554 -1.3891 -2.7128 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2276 -2.4010 -1.5239 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1255 -3.1304 -3.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3104 -4.1053 -2.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3148 -0.1761 -1.2255 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9541 1.1109 1.5092 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 1.9706 -0.2496 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8332 -3.3593 0.4469 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4874 -2.2449 -1.7225 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9813 -3.3294 -0.4194 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8083 2.3377 2.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8872 -0.9090 0.3305 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0083 0.8464 -1.5823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3616 -0.8046 2.8399 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2721 3.5631 -3.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5947 3.7459 -2.6544 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1224 3.8204 -2.1189 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7043 3.8404 1.9867 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6490 -2.9103 1.4972 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8578 2.3493 -2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1412 -2.8448 3.9780 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7324 3.8518 -0.2712 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2869 -3.9008 3.3184 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9545 0.4214 -0.9159 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5899 0.5974 2.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8510 2.5595 -0.8159 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3122 4.0620 -0.1019 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7155 4.6499 1.8103 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0908 4.7417 2.6978 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 8 1 0 0 0 0 1 28 1 0 0 0 0 2 33 1 0 0 0 0 2 38 1 0 0 0 0 3 18 2 0 0 0 0 4 20 2 0 0 0 0 7 13 1 0 0 0 0 7 15 1 0 0 0 0 7 18 1 0 0 0 0 8 17 1 0 0 0 0 8 49 1 0 0 0 0 9 20 1 0 0 0 0 9 23 1 0 0 0 0 9 50 1 0 0 0 0 10 39 1 0 0 0 0 10 68 1 0 0 0 0 10 69 1 0 0 0 0 11 12 1 0 0 0 0 11 39 2 0 0 0 0 12 70 1 0 0 0 0 12 71 1 0 0 0 0 13 14 1 0 0 0 0 13 20 1 0 0 0 0 13 40 1 0 0 0 0 14 16 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 16 1 0 0 0 0 15 43 1 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 16 46 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 17 47 1 0 0 0 0 19 21 1 0 0 0 0 19 22 1 0 0 0 0 19 48 1 0 0 0 0 21 24 2 0 0 0 0 21 26 1 0 0 0 0 22 25 2 0 0 0 0 22 27 1 0 0 0 0 23 33 1 0 0 0 0 23 51 1 0 0 0 0 23 52 1 0 0 0 0 24 29 1 0 0 0 0 24 53 1 0 0 0 0 25 30 1 0 0 0 0 25 54 1 0 0 0 0 26 31 2 0 0 0 0 26 55 1 0 0 0 0 27 32 2 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 34 2 0 0 0 0 29 60 1 0 0 0 0 30 35 2 0 0 0 0 30 61 1 0 0 0 0 31 34 1 0 0 0 0 31 62 1 0 0 0 0 32 35 1 0 0 0 0 32 63 1 0 0 0 0 33 36 2 0 0 0 0 34 64 1 0 0 0 0 35 65 1 0 0 0 0 36 37 1 0 0 0 0 36 66 1 0 0 0 0 37 38 2 0 0 0 0 37 39 1 0 0 0 0 38 67 1 0 0 0 0 M END $$$$