B4EY3J -OEChem-04022101372D 50 53 0 1 0 0 0 0 0999 V2000 7.6651 0.5927 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.9405 -0.5854 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6844 1.6769 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4026 -0.0810 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.8896 4.3413 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1667 4.1632 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -1.8432 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.0952 2.3519 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6783 -3.4527 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.6480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.1480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -4.6480 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9422 0.4146 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 4.9917 0.7253 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4026 -0.0827 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9889 -0.8927 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4752 1.1791 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.7523 1.0010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3724 2.1738 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3880 0.7708 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1824 2.7602 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 10.1980 1.3572 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0796 3.7549 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -3.6480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.1480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4942 0.1322 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4309 1.1630 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1220 0.4702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4266 -1.3319 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5389 0.5624 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0999 1.5144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3070 1.4325 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1015 2.7315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7761 2.0039 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0404 0.2574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8332 0.3393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6846 3.1237 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4689 0.7994 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7943 1.5270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5974 2.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1000 2.1369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0935 0.4565 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8819 -2.6480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8259 4.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -1.8380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -4.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -4.9580 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17 1 1 1 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 16 1 0 0 0 0 14 3 1 6 0 0 0 3 44 1 0 0 0 0 15 4 1 6 0 0 0 4 45 1 0 0 0 0 5 25 1 0 0 0 0 5 47 1 0 0 0 0 6 25 2 0 0 0 0 16 7 1 1 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 8 43 1 0 0 0 0 9 24 2 0 0 0 0 9 26 1 0 0 0 0 10 23 2 0 0 0 0 10 28 1 0 0 0 0 11 27 1 0 0 0 0 11 28 2 0 0 0 0 12 27 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 14 1 0 0 0 0 13 18 1 1 0 0 0 13 29 1 0 0 0 0 14 15 1 0 0 0 0 14 30 1 0 0 0 0 15 16 1 0 0 0 0 15 31 1 0 0 0 0 16 32 1 0 0 0 0 17 19 1 0 0 0 0 17 20 1 0 0 0 0 17 33 1 0 0 0 0 18 34 1 0 0 0 0 18 35 1 0 0 0 0 19 21 1 0 0 0 0 19 36 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 21 25 1 1 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 22 42 1 0 0 0 0 23 26 1 0 0 0 0 24 46 1 0 0 0 0 26 27 2 0 0 0 0 28 48 1 0 0 0 0 M END $$$$