BK95EU -OEChem-04012112103D 30 30 0 0 0 0 0 0 0999 V2000 -0.5867 1.8159 -0.4849 S 0 0 0 0 0 0 0 0 0 0 0 0 2.9742 0.4411 0.4000 P 0 0 0 0 0 0 0 0 0 0 0 0 0.9138 -1.8113 -0.4492 P 0 0 0 0 0 0 0 0 0 0 0 0 2.8079 1.8893 1.0956 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5143 -0.4870 1.6084 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7865 -1.8851 -1.8080 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7132 -2.7941 0.5516 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8141 0.4158 -0.8424 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5460 -2.1108 -0.6175 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2578 2.6324 0.6675 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0334 2.4422 -1.7149 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6995 0.7660 -0.8370 N 0 0 0 0 0 0 0 0 0 0 0 0 1.2747 -0.1470 0.1698 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8564 0.6864 -0.0005 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9695 0.3263 1.3316 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7149 0.1812 -0.9619 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9715 -0.5658 1.7136 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7168 -0.7110 -0.5798 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8452 -1.0845 0.7580 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7796 -0.0363 1.1366 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9615 0.5909 -1.8147 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3020 0.7197 2.0917 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6265 0.4516 -2.0095 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6108 2.4171 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4462 -0.3924 1.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7285 -2.6895 -2.3663 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6419 -3.7639 0.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0713 -0.8567 2.7552 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3955 -1.1170 -1.3242 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6247 -1.7797 1.0554 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 1 11 2 0 0 0 0 1 12 1 0 0 0 0 1 14 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 2 0 0 0 0 2 13 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 9 2 0 0 0 0 3 13 1 0 0 0 0 4 24 1 0 0 0 0 5 25 1 0 0 0 0 6 26 1 0 0 0 0 7 27 1 0 0 0 0 12 13 1 0 0 0 0 12 21 1 0 0 0 0 13 20 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 15 22 1 0 0 0 0 16 18 2 0 0 0 0 16 23 1 0 0 0 0 17 19 2 0 0 0 0 17 28 1 0 0 0 0 18 19 1 0 0 0 0 18 29 1 0 0 0 0 19 30 1 0 0 0 0 M END $$$$