B0QPW1 -OEChem-04012117242D 45 49 0 0 0 0 0 0 0999 V2000 3.4354 -3.3380 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.2296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.7296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3390 0.9275 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 -0.7704 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 -0.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2641 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1719 -0.6756 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 -0.2704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8397 0.0687 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 0.7296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3672 0.7183 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 -0.8051 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4826 -1.6261 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.2642 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8183 -0.1375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2913 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9176 -1.8050 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7504 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4611 -1.8323 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1289 -1.0880 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 2.2296 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1155 -2.4021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7334 -2.3834 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4355 -3.3496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9996 -1.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7966 -1.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9057 1.1323 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5892 1.4948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0685 -2.0875 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 1.8842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 -0.6033 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2323 0.3240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.0624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6537 -2.4216 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7356 -1.2159 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5236 -2.2174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3208 -2.1850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3981 1.8496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0769 -3.8553 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 3.3496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 1 29 1 0 0 0 0 2 14 1 0 0 0 0 2 43 1 0 0 0 0 3 26 1 0 0 0 0 3 45 1 0 0 0 0 4 26 2 0 0 0 0 5 13 1 0 0 0 0 5 16 1 0 0 0 0 5 33 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 30 1 0 0 0 0 7 31 1 0 0 0 0 8 10 1 0 0 0 0 8 16 2 0 0 0 0 9 14 2 0 0 0 0 10 13 1 0 0 0 0 10 18 2 0 0 0 0 11 12 1 0 0 0 0 11 17 1 0 0 0 0 12 15 2 0 0 0 0 12 19 1 0 0 0 0 13 20 2 0 0 0 0 14 15 1 0 0 0 0 15 26 1 0 0 0 0 16 32 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 24 1 0 0 0 0 18 34 1 0 0 0 0 19 23 2 0 0 0 0 19 35 1 0 0 0 0 20 25 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 36 1 0 0 0 0 22 27 1 0 0 0 0 22 28 2 0 0 0 0 23 38 1 0 0 0 0 24 25 2 0 0 0 0 24 39 1 0 0 0 0 25 40 1 0 0 0 0 27 29 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 29 44 1 0 0 0 0 M END $$$$