LDNK91 -OEChem-05022323252D 45 47 0 1 0 0 0 0 0999 V2000 13.4939 -1.1828 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -1.1828 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.1832 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 -0.1828 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 3.3660 1.5493 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -2.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.4939 -0.1828 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 0.4880 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 -1.1828 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4103 -1.1215 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.9939 -0.3168 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9939 -0.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7210 1.4385 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4939 0.5493 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.1832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0531 2.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.8168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4939 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.6832 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -0.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9939 -2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9939 -0.3168 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9939 -2.0488 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4939 -1.1828 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6839 -0.8537 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2679 1.1465 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1035 1.9264 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1839 -1.7197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0309 0.2393 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8039 1.0862 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9570 0.8593 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.3032 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.9368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5146 2.5968 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6391 2.6443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5917 1.7687 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -1.1268 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6839 0.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6839 -2.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3039 0.2202 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3039 -2.5858 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 6 2 0 0 0 0 2 7 2 0 0 0 0 2 9 1 0 0 0 0 2 22 1 0 0 0 0 3 23 1 0 0 0 0 4 23 1 0 0 0 0 5 23 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 11 9 1 1 0 0 0 9 32 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 16 1 0 0 0 0 11 29 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 18 1 0 0 0 0 15 20 1 0 0 0 0 15 30 1 0 0 0 0 15 31 1 0 0 0 0 16 33 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 17 19 2 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 21 1 0 0 0 0 19 23 1 0 0 0 0 20 38 1 0 0 0 0 20 39 1 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 24 2 0 0 0 0 22 25 1 0 0 0 0 24 26 1 0 0 0 0 24 42 1 0 0 0 0 25 27 2 0 0 0 0 25 43 1 0 0 0 0 26 28 2 0 0 0 0 26 44 1 0 0 0 0 27 28 1 0 0 0 0 27 45 1 0 0 0 0 M END $$$$