B1XQB4 -OEChem-04022103253D 45 47 0 0 0 0 0 0 0999 V2000 -4.0077 -0.6522 1.1680 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.1883 -1.7065 1.7507 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0662 -0.0478 1.9650 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9497 3.3482 -1.3299 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8572 0.1251 2.6868 O 0 5 0 0 0 0 0 0 0 0 0 0 2.1938 -1.2458 2.2708 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6838 -1.2275 -0.2919 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2989 3.4887 -0.7074 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4638 0.3865 -0.6161 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6363 0.7871 -0.4089 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2725 -0.6977 1.9436 N 0 3 0 0 0 0 0 0 0 0 0 0 -0.7892 1.3828 -0.1576 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9588 0.6315 0.6149 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3128 2.6737 -0.2567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6292 0.3426 0.2869 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5726 1.4521 -0.5647 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4543 1.9294 0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6398 2.9774 0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8086 -1.7631 -1.3444 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8443 2.7595 -0.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5432 -2.8224 -2.1568 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0191 -3.9916 -1.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5377 -0.2899 -0.4601 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8531 -1.0203 0.6854 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1195 -0.6245 -1.6828 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7503 -2.0855 0.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0169 -1.6896 -1.7600 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3324 -2.4202 -0.6144 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2349 -0.6662 0.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4889 2.1549 0.7528 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0267 3.9872 -0.0184 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5682 -0.8131 -0.6116 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9080 -2.2069 -0.9082 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5054 -0.9441 -2.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3882 4.4814 -0.8741 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8767 -3.1966 -2.9424 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4096 -2.3731 -2.6568 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1820 -4.4557 -0.7747 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7644 -3.6774 -0.5688 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4811 -4.7541 -1.9413 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7616 4.2944 -1.4588 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8813 -0.0614 -2.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0060 -2.6642 1.4927 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4701 -1.9501 -2.7120 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0311 -3.2495 -0.6745 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 7 1 0 0 0 0 1 13 1 0 0 0 0 4 20 1 0 0 0 0 4 41 1 0 0 0 0 5 11 1 0 0 0 0 6 11 2 0 0 0 0 7 19 1 0 0 0 0 7 32 1 0 0 0 0 8 14 1 0 0 0 0 8 20 1 0 0 0 0 8 35 1 0 0 0 0 9 10 2 0 0 0 0 9 16 1 0 0 0 0 10 23 1 0 0 0 0 11 24 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 29 1 0 0 0 0 16 20 2 0 0 0 0 17 18 2 0 0 0 0 17 30 1 0 0 0 0 18 31 1 0 0 0 0 19 21 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 21 22 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 22 39 1 0 0 0 0 22 40 1 0 0 0 0 23 24 1 0 0 0 0 23 25 2 0 0 0 0 24 26 2 0 0 0 0 25 27 1 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 28 2 0 0 0 0 27 44 1 0 0 0 0 28 45 1 0 0 0 0 M CHG 2 5 -1 11 1 M END $$$$