B42ZCK -OEChem-04012117362D 43 45 0 1 0 0 0 0 0999 V2000 7.6651 2.0032 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.8252 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.3296 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 3.0874 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.4327 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.0422 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.2374 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.3594 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4026 1.3278 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9917 2.1358 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.5178 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9422 1.8252 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.4116 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.7374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.5896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 2.1813 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.2374 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.7677 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.7375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.8807 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 0.0786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.5427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.9250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.8430 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.8670 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.2374 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 3.1030 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 3.0211 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.6679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.7498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5456 3.2811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7528 3.1992 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.4275 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.5474 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6131 2.7229 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1746 1.7427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 19 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 11 3 1 6 0 0 0 3 30 1 0 0 0 0 12 4 1 6 0 0 0 4 31 1 0 0 0 0 13 5 1 1 0 0 0 5 16 1 0 0 0 0 5 17 1 0 0 0 0 6 17 2 0 0 0 0 6 18 1 0 0 0 0 7 16 2 0 0 0 0 7 23 1 0 0 0 0 8 21 1 0 0 0 0 8 23 2 0 0 0 0 9 21 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 22 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 24 1 0 0 0 0 12 14 1 0 0 0 0 12 25 1 0 0 0 0 13 26 1 0 0 0 0 14 15 1 1 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 1 0 0 0 0 17 32 1 0 0 0 0 18 21 2 0 0 0 0 19 20 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 22 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 M END $$$$