B9QVI6 -OEChem-04042104053D 57 61 0 1 0 0 0 0 0999 V2000 7.2447 -0.1858 -1.0144 F 0 0 0 0 0 0 0 0 0 0 0 0 6.4471 -1.8720 0.0920 F 0 0 0 0 0 0 0 0 0 0 0 0 6.8620 -0.0004 1.1179 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.2778 -0.2007 -2.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9250 1.3432 -0.5141 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1344 1.2232 -1.1474 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1952 -0.7204 -1.3580 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0181 -0.0623 -1.7478 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4091 -1.6947 2.2212 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3796 -2.1206 0.0844 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4278 3.2118 0.8002 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4183 4.1422 1.4546 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1664 3.7556 2.1846 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6016 3.6810 -0.3659 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7607 1.7585 0.6143 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9783 2.3905 -0.9038 C 0 0 1 0 0 0 0 0 0 0 0 0 0.4005 2.1257 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9894 0.1294 -1.1855 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0007 -0.8380 -0.7359 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4258 0.7879 -0.8798 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7261 -1.7779 0.2444 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0272 1.2612 0.2752 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7426 -2.6536 0.6094 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1588 -1.5884 -0.9769 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4321 -1.8696 0.8862 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9852 -2.5638 -0.0081 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3202 0.8346 0.5573 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2747 -0.4552 -1.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4800 -1.4619 -1.6588 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9628 -0.0400 -0.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3457 -0.5146 -0.0379 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1875 -1.7862 2.7865 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8105 -2.1993 0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9687 -2.0391 2.0767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3549 3.7302 1.8108 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4913 5.1581 1.0855 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4019 4.5132 2.3076 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2656 3.0866 3.0311 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8638 4.4468 -0.1073 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2738 4.1043 -1.1228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8138 1.6055 0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5003 1.1505 1.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9124 2.4372 -1.9981 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2982 1.7185 0.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9481 3.0741 -0.2423 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7078 0.8663 -1.9949 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5561 1.9424 0.9740 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5847 -3.4142 1.3701 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7860 -3.2414 0.2679 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8110 1.1929 1.4577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7248 -1.1376 -2.1550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2652 -1.2398 -0.9291 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4660 -0.6527 -2.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7292 -2.3907 -2.1817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1626 -1.6453 3.8618 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -2.4025 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9361 -2.1062 2.5557 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 31 1 0 0 0 0 3 31 1 0 0 0 0 4 18 2 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 18 1 0 0 0 0 6 17 1 0 0 0 0 6 20 1 0 0 0 0 6 46 1 0 0 0 0 7 19 1 0 0 0 0 7 24 2 0 0 0 0 8 20 2 0 0 0 0 8 28 1 0 0 0 0 9 25 2 0 0 0 0 9 32 1 0 0 0 0 10 25 1 0 0 0 0 10 33 2 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 14 1 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 41 1 0 0 0 0 15 42 1 0 0 0 0 16 17 1 0 0 0 0 16 43 1 0 0 0 0 17 44 1 0 0 0 0 17 45 1 0 0 0 0 18 19 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 21 23 1 0 0 0 0 21 25 1 0 0 0 0 22 27 2 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 29 1 0 0 0 0 26 49 1 0 0 0 0 27 30 1 0 0 0 0 27 50 1 0 0 0 0 28 30 2 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 32 34 2 0 0 0 0 32 55 1 0 0 0 0 33 34 1 0 0 0 0 33 56 1 0 0 0 0 34 57 1 0 0 0 0 M END $$$$