B81NIO -OEChem-04022106312D 55 58 0 1 0 0 0 0 0999 V2000 7.6651 1.8067 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 0.6287 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 2.8909 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 1.1331 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8181 3.7440 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -0.6292 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -2.2387 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.4340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.9340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.4340 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1109 2.1629 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9917 1.9393 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4026 1.1313 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.9422 1.6287 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9889 0.3213 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 2.2151 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -1.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4752 2.3931 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 1.9848 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.4340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1980 2.5712 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9340 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9209 2.7492 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8337 2.3409 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9366 1.3462 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6438 2.9273 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.8494 0.9379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5566 2.5190 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.6594 1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 2.3770 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 1.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 1.3462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -0.1179 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 2.7284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 2.6465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 3.3510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 1.6705 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -1.4340 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8227 2.9065 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0299 2.8246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 1.4714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 1.5533 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5456 3.0846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7528 3.0026 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -3.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -3.7440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1746 1.5462 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4343 0.9827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5800 3.5440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9131 0.3212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0588 2.8826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2254 1.2712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 20 1 0 0 0 0 2 14 1 0 0 0 0 2 15 1 0 0 0 0 12 3 1 6 0 0 0 3 38 1 0 0 0 0 13 4 1 6 0 0 0 4 39 1 0 0 0 0 5 25 2 0 0 0 0 15 6 1 1 0 0 0 6 17 1 0 0 0 0 6 18 1 0 0 0 0 7 18 2 0 0 0 0 7 19 1 0 0 0 0 8 17 2 0 0 0 0 8 24 1 0 0 0 0 9 22 1 0 0 0 0 9 24 2 0 0 0 0 10 22 1 0 0 0 0 10 48 1 0 0 0 0 10 49 1 0 0 0 0 11 23 1 0 0 0 0 11 25 1 0 0 0 0 11 50 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 32 1 0 0 0 0 13 15 1 0 0 0 0 13 33 1 0 0 0 0 14 16 1 1 0 0 0 14 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 17 19 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 20 42 1 0 0 0 0 21 23 1 0 0 0 0 21 43 1 0 0 0 0 21 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 26 27 2 0 0 0 0 26 28 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 28 30 2 0 0 0 0 28 52 1 0 0 0 0 29 31 2 0 0 0 0 29 53 1 0 0 0 0 30 31 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$