BW5H9E -OEChem-04042102383D 78 82 0 1 0 0 0 0 0999 V2000 3.3537 -2.8444 -0.2479 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.5868 -3.3535 0.0970 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4104 -3.6730 0.4786 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3874 -3.4564 -1.0604 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7689 1.4078 0.7952 N 0 0 0 0 0 0 0 0 0 0 0 0 4.0740 -1.7375 0.8263 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1469 0.0879 1.7972 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5904 2.2052 0.8147 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1204 0.8724 1.8417 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4539 -1.1932 2.7923 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6336 2.9464 0.8750 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8131 -1.2826 1.6275 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.3581 3.8542 1.3491 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8816 0.5438 1.2110 C 0 0 2 0 0 0 0 0 0 0 0 0 6.1080 1.4539 1.0488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7371 2.3458 -0.1244 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2468 2.5977 0.0865 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9757 -0.6898 0.3142 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4459 1.2261 1.1504 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4320 -1.7710 -1.3077 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8457 -0.0204 2.1111 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3253 1.9597 1.1920 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1148 -1.4391 -0.9908 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0231 -1.2552 -2.4611 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9796 -0.0757 -2.9806 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3886 -0.5915 -1.8273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2969 -0.4075 -3.2976 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2030 0.8301 -3.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8960 -1.4447 3.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0165 2.8207 1.2141 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3603 2.3066 -3.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 -1.9825 2.0343 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8061 4.0348 0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4062 3.2267 -4.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4108 -3.1311 1.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3629 -1.9128 0.6133 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2323 3.9327 1.0794 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5528 -1.4816 -0.0818 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2854 -2.3932 -0.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9696 -0.1535 0.0070 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4349 -1.9767 -1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1190 0.2630 -0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8517 -0.6486 -1.4247 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7984 0.2629 2.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0432 0.9098 0.8880 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2292 2.0714 1.9480 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3165 3.2728 -0.1538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8994 1.8138 -1.0692 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0979 3.4885 0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7349 2.7387 -0.8715 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9880 -1.1077 0.3669 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7842 -0.4365 -0.7276 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7822 -1.6971 1.8096 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6386 -1.8398 -0.1059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0456 -1.5021 -2.7322 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1758 -1.8798 2.9772 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2949 3.7648 0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6367 -0.3403 -1.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -0.0111 -4.1926 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5230 0.6844 -4.9155 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 0.5521 -3.8536 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3712 -0.5533 3.6162 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8973 -2.2000 3.9847 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1308 2.7159 2.3006 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4307 1.9153 0.7546 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4208 2.5870 -3.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0055 2.4622 -2.4596 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3893 4.9468 1.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6995 4.1420 -0.3501 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2766 4.2703 -4.1193 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4765 2.9981 -4.4062 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0480 3.1245 -5.4519 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5983 -3.8305 1.4629 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0317 -3.4451 -0.9310 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4180 0.5742 0.5953 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0095 -2.6872 -2.1007 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4444 1.2969 -0.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7476 -0.3245 -1.9461 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 6 1 0 0 0 0 1 20 1 0 0 0 0 2 35 1 0 0 0 0 2 36 1 0 0 0 0 5 14 1 0 0 0 0 5 17 1 0 0 0 0 5 19 1 0 0 0 0 6 18 1 0 0 0 0 6 53 1 0 0 0 0 7 19 1 0 0 0 0 7 21 2 0 0 0 0 8 19 2 0 0 0 0 8 22 1 0 0 0 0 9 21 1 0 0 0 0 9 22 2 0 0 0 0 10 21 1 0 0 0 0 10 29 1 0 0 0 0 10 56 1 0 0 0 0 11 22 1 0 0 0 0 11 30 1 0 0 0 0 11 57 1 0 0 0 0 12 32 1 0 0 0 0 12 36 2 0 0 0 0 13 37 3 0 0 0 0 14 15 1 0 0 0 0 14 18 1 0 0 0 0 14 44 1 0 0 0 0 15 16 1 0 0 0 0 15 45 1 0 0 0 0 15 46 1 0 0 0 0 16 17 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 18 51 1 0 0 0 0 18 52 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 23 26 1 0 0 0 0 23 54 1 0 0 0 0 24 27 2 0 0 0 0 24 55 1 0 0 0 0 25 26 2 0 0 0 0 25 27 1 0 0 0 0 25 28 1 0 0 0 0 26 58 1 0 0 0 0 27 59 1 0 0 0 0 28 31 1 0 0 0 0 28 60 1 0 0 0 0 28 61 1 0 0 0 0 29 32 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 33 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 34 1 0 0 0 0 31 66 1 0 0 0 0 31 67 1 0 0 0 0 32 35 2 0 0 0 0 33 37 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 34 72 1 0 0 0 0 35 73 1 0 0 0 0 36 38 1 0 0 0 0 38 39 2 0 0 0 0 38 40 1 0 0 0 0 39 41 1 0 0 0 0 39 74 1 0 0 0 0 40 42 2 0 0 0 0 40 75 1 0 0 0 0 41 43 2 0 0 0 0 41 76 1 0 0 0 0 42 43 1 0 0 0 0 42 77 1 0 0 0 0 43 78 1 0 0 0 0 M END $$$$