B9VZK2 -OEChem-04022104533D 43 45 0 0 0 0 0 0 0999 V2000 3.1772 1.4608 0.8222 S 0 0 0 0 0 0 0 0 0 0 0 0 4.4671 1.0358 1.4216 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4101 2.4820 1.5753 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7081 -2.1394 -0.5990 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2131 0.1578 0.4382 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.5884 1.8691 0.2059 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6515 -1.1234 0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6348 2.2471 -0.7310 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5230 -1.8973 -0.0891 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3937 -1.0360 0.0001 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8500 0.2205 0.3255 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5225 3.4585 -0.4977 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9476 -1.6510 0.1903 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6939 -3.2649 -0.3815 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9654 -1.3639 -0.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0926 -3.0099 -0.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9262 4.1126 -1.8085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9843 -3.8065 -0.3841 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0409 -0.5116 -0.0882 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4380 -0.9797 -0.3070 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5305 0.0070 -0.1293 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3023 1.3539 -0.3888 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7865 -0.4098 0.2975 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3548 2.2367 -0.2074 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7726 0.5519 0.4482 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1504 1.4916 -1.3326 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7046 2.5314 -1.2332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3283 1.1556 0.4826 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 3.1667 0.0488 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0015 4.1941 0.1257 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8312 -1.0568 0.3824 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8427 -3.9021 -0.6041 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1773 -2.3943 -0.4791 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0863 -3.4505 -0.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0464 4.4514 -2.3649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5633 4.9820 -1.6183 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4845 3.4140 -2.4399 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1224 -4.8606 -0.6101 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8801 0.5154 0.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3588 1.7391 -0.7573 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0040 -1.4502 0.5141 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2313 3.2966 -0.4044 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7690 0.2786 0.7796 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 5 1 0 0 0 0 1 8 1 0 0 0 0 4 20 2 0 0 0 0 5 7 1 0 0 0 0 5 11 1 0 0 0 0 6 24 2 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 13 2 0 0 0 0 8 12 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 10 1 0 0 0 0 9 14 2 0 0 0 0 10 11 2 0 0 0 0 10 15 1 0 0 0 0 11 28 1 0 0 0 0 12 17 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 16 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 19 2 0 0 0 0 15 33 1 0 0 0 0 16 18 2 0 0 0 0 16 34 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 19 39 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 24 1 0 0 0 0 22 40 1 0 0 0 0 23 25 2 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 25 43 1 0 0 0 0 M END $$$$