B5SFY6 -OEChem-04022107482D 58 60 0 0 0 0 0 0 0999 V2000 8.3000 0.6029 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.7012 -0.4151 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.6402 3.6299 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2389 4.6480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -4.9380 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.0579 2.9254 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8823 1.3074 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -0.4380 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2177 0.7645 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2395 0.5566 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4646 2.0119 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0634 3.0300 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8768 1.2029 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4756 2.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6457 3.7345 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2280 4.4390 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2945 0.4984 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8158 5.2480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0370 3.8512 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4189 5.0267 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7122 -0.2061 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7177 -0.1016 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -0.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0486 -0.8447 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -2.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -2.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1350 -3.4380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -3.9380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8953 1.5659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9786 2.3586 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2342 3.6260 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5061 3.3018 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7059 0.6069 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4341 0.9311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0449 2.6670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9616 1.8743 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3173 4.8835 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1802 5.7496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3142 5.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6726 3.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.5386 3.4867 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.4014 4.3528 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7834 5.5283 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9174 5.3912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0545 4.5252 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5413 -0.8021 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2695 -0.4779 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0569 -0.3554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6584 -1.0456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1775 -1.4512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -2.1280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6720 -3.7480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8059 -5.2480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 1 22 1 0 0 0 0 2 18 2 0 0 0 0 3 16 1 0 0 0 0 3 17 1 0 0 0 0 4 16 2 0 0 0 0 5 27 1 0 0 0 0 5 57 1 0 0 0 0 6 31 1 0 0 0 0 6 58 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 8 14 1 0 0 0 0 8 15 1 0 0 0 0 8 18 1 0 0 0 0 9 11 1 0 0 0 0 9 24 1 0 0 0 0 9 25 1 0 0 0 0 10 11 2 0 0 0 0 10 23 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 13 15 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 14 36 1 0 0 0 0 14 37 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 21 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 21 47 1 0 0 0 0 21 48 1 0 0 0 0 22 23 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 23 25 2 0 0 0 0 24 26 1 0 0 0 0 24 51 1 0 0 0 0 24 52 1 0 0 0 0 25 53 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 28 30 2 0 0 0 0 28 54 1 0 0 0 0 29 31 2 0 0 0 0 29 55 1 0 0 0 0 30 31 1 0 0 0 0 30 56 1 0 0 0 0 M END $$$$