B3WQR6 -OEChem-04022105143D 45 47 0 1 0 0 0 0 0999 V2000 3.4475 -4.0182 0.7717 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4082 -2.9391 -0.8529 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4952 -2.1541 1.1671 F 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 5.4947 -0.3758 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3513 4.8736 -0.3443 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2780 1.4200 0.1526 N 0 0 2 0 0 0 0 0 0 0 0 0 2.3884 3.9848 0.1523 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2874 0.1484 -0.6271 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6188 2.0030 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5091 -0.7443 -0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5188 1.0625 1.0686 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5718 -0.2992 0.4372 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3638 2.4077 -0.4332 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0146 -0.6192 -0.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 -2.0063 -0.9808 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1237 3.3793 0.6368 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6728 -1.1347 0.6736 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8797 -0.8712 -1.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3369 -1.0660 0.8921 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7174 -2.8259 -0.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7440 -2.3934 0.0809 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0672 -1.5702 -1.2373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5244 -1.7650 1.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3895 -2.0171 0.0441 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0855 4.4143 0.0814 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6591 -2.7644 0.2756 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3619 0.4145 -1.6927 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5971 2.9586 0.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0509 2.1979 -0.7187 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5258 1.4946 1.1125 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1525 0.9621 2.0979 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8272 2.9450 -1.2714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5282 1.9285 -0.8531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8276 -2.3656 -1.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6122 2.8320 1.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7029 3.9375 1.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4860 -0.8025 1.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6417 -0.5289 -2.4575 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3252 -0.8778 1.7332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7762 -3.8016 -1.2258 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6033 -3.0321 0.2624 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7283 -1.7568 -2.0791 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7670 -2.1091 2.1107 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7274 3.1534 0.6225 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4581 4.5250 -1.2457 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 25 2 0 0 0 0 5 7 1 0 0 0 0 5 45 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 7 25 1 0 0 0 0 7 44 1 0 0 0 0 8 10 1 0 0 0 0 8 14 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 15 2 0 0 0 0 11 12 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 17 2 0 0 0 0 13 16 1 0 0 0 0 13 32 1 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 16 25 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 22 1 0 0 0 0 18 38 1 0 0 0 0 19 23 2 0 0 0 0 19 39 1 0 0 0 0 20 21 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 22 42 1 0 0 0 0 23 24 1 0 0 0 0 23 43 1 0 0 0 0 24 26 1 0 0 0 0 M END $$$$