B4IUW7 -OEChem-04042104433D 57 59 0 0 0 0 0 0 0999 V2000 -10.0091 -2.8773 1.4801 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8832 0.6701 -1.2873 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 3.0066 -0.1039 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1403 1.3418 1.2143 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4388 1.1753 -1.0905 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7425 -0.4296 -0.2042 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9250 -0.8922 -0.0803 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2804 -2.3988 -1.5779 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1370 -0.5511 0.0139 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0786 0.9618 -0.0796 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8887 -1.5142 -0.6590 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5850 0.7743 -0.8881 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8811 -0.7516 0.4750 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1173 1.9466 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2607 -1.6145 -0.4286 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2144 2.0403 0.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7574 0.3119 0.9173 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6109 -0.2104 -0.6735 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1294 0.2116 1.1480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7209 -0.3042 -1.0777 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4670 1.0600 0.3425 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6635 -0.3639 -0.6904 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3481 -0.8576 0.7217 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8728 0.4759 0.3895 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4763 0.2807 -0.1076 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1100 0.0785 -0.6486 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3238 -0.8310 0.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9901 -1.9054 0.7133 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0367 0.3033 -0.2647 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3691 -1.8454 0.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4157 0.3631 -0.0640 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6638 3.0568 1.1308 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0820 -0.7112 0.5255 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5683 2.9604 0.5705 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8482 -2.3662 -0.9512 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2526 1.0835 1.4796 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2409 -1.0821 -0.8243 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6021 0.8879 1.8555 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0706 -1.2222 -1.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3489 -1.0849 -0.8720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6782 1.8392 1.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3334 -0.5693 0.3357 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5845 -1.2724 -1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8764 -1.1890 -0.1788 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7736 0.1115 1.0037 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5428 -1.5731 1.5267 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3203 -0.4908 -0.8533 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4799 -1.7529 0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8496 -3.0879 -2.0526 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2921 -2.3624 -1.7760 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4471 -2.7953 1.0207 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5913 1.1735 -0.7260 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9720 1.2458 -0.3661 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2998 3.9462 1.1233 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9669 3.1318 1.9716 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2996 2.1738 1.2479 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1557 -0.6650 0.6820 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 2 12 1 0 0 0 0 2 22 1 0 0 0 0 3 14 1 0 0 0 0 3 32 1 0 0 0 0 4 24 2 0 0 0 0 5 26 2 0 0 0 0 6 9 1 0 0 0 0 6 24 1 0 0 0 0 6 40 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 7 48 1 0 0 0 0 8 11 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 11 2 0 0 0 0 9 17 1 0 0 0 0 10 16 2 0 0 0 0 10 18 1 0 0 0 0 10 21 1 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 12 20 1 0 0 0 0 13 15 2 0 0 0 0 13 19 1 0 0 0 0 13 23 1 0 0 0 0 14 16 1 0 0 0 0 15 35 1 0 0 0 0 16 34 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 20 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 39 1 0 0 0 0 21 25 2 0 0 0 0 21 41 1 0 0 0 0 22 26 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 25 1 0 0 0 0 25 47 1 0 0 0 0 27 28 2 0 0 0 0 27 29 1 0 0 0 0 28 30 1 0 0 0 0 28 51 1 0 0 0 0 29 31 2 0 0 0 0 29 52 1 0 0 0 0 30 33 2 0 0 0 0 31 33 1 0 0 0 0 31 53 1 0 0 0 0 32 54 1 0 0 0 0 32 55 1 0 0 0 0 32 56 1 0 0 0 0 33 57 1 0 0 0 0 M END $$$$