B2RNQ7 -OEChem-04012113532D 49 52 0 0 0 0 0 0 0999 V2000 4.7867 -1.6734 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0959 -1.4415 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6187 2.8778 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6166 -3.1869 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7976 -1.4643 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4504 -1.0347 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2594 -2.4360 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.2812 -2.6439 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3639 -1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2424 -0.0566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2299 -0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 -0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6940 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7812 -1.7779 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9620 -0.9415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8280 -1.4415 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9856 0.6125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2914 0.2524 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8280 0.5585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9620 0.0585 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5880 -1.4761 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5880 0.5932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7777 1.5907 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0835 1.2306 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8266 1.8997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4940 -0.9623 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4940 0.0793 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1989 -2.4824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2044 -2.3778 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6676 3.1869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6285 -0.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8314 -0.4665 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8280 -2.0615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5752 0.4209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8306 -0.1624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8280 1.1785 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4250 0.3685 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5808 -2.0961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5808 1.2131 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2384 2.0055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4938 1.4222 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0298 -1.2744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.0298 0.3914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0280 -3.0784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7562 -2.7542 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8592 3.7765 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0780 3.3784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4760 2.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1221 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 28 1 0 0 0 0 2 11 1 0 0 0 0 2 15 1 0 0 0 0 3 25 1 0 0 0 0 3 30 1 0 0 0 0 4 29 1 0 0 0 0 4 49 1 0 0 0 0 5 29 2 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 7 8 1 0 0 0 0 7 9 2 0 0 0 0 8 14 2 0 0 0 0 9 11 1 0 0 0 0 10 17 2 0 0 0 0 10 18 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 16 1 0 0 0 0 12 21 2 0 0 0 0 13 19 1 0 0 0 0 13 22 2 0 0 0 0 15 16 2 0 0 0 0 15 20 1 0 0 0 0 16 33 1 0 0 0 0 17 23 1 0 0 0 0 17 34 1 0 0 0 0 18 24 2 0 0 0 0 18 35 1 0 0 0 0 19 20 2 0 0 0 0 19 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 1 0 0 0 0 22 39 1 0 0 0 0 23 25 2 0 0 0 0 23 40 1 0 0 0 0 24 25 1 0 0 0 0 24 41 1 0 0 0 0 26 27 2 0 0 0 0 26 42 1 0 0 0 0 27 43 1 0 0 0 0 28 29 1 0 0 0 0 28 44 1 0 0 0 0 28 45 1 0 0 0 0 30 46 1 0 0 0 0 30 47 1 0 0 0 0 30 48 1 0 0 0 0 M END $$$$