D0B6TW -OEChem-04152108442D 56 57 0 1 0 0 0 0 0999 V2000 2.0000 -0.9466 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 13.9362 -0.1660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.3218 -0.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1256 -1.6314 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6088 -0.1532 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 3.8590 0.9432 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1305 -1.9380 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.6651 -3.5127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.1878 0.8686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1878 2.8686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5897 1.3686 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.9478 2.9032 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.8538 1.3477 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2596 -0.1314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7179 2.8927 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3218 1.3686 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 11.3218 2.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4557 0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0538 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0538 2.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.9478 0.8339 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1878 -0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7237 0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.8538 2.3894 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 1.3686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7237 -0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3936 -0.6314 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.9916 -0.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5241 -1.6229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9916 0.8686 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1256 -0.6314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9153 -2.4162 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6002 -0.0227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -2.5468 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3218 0.7486 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1097 2.9512 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7112 2.2609 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0572 0.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8543 0.3936 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1878 3.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5897 1.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7247 -0.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3896 1.0357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 1.9886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2606 -0.4414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4341 -0.0128 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9015 -2.1148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0969 -1.3856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4547 1.1786 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8577 -1.2514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2596 0.4886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8344 -3.0309 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4881 -2.6535 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.7155 3.5127 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.2560 2.5848 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2 21 2 0 0 0 0 3 22 2 0 0 0 0 4 32 2 0 0 0 0 5 34 1 0 0 0 0 6 34 2 0 0 0 0 7 35 1 0 0 0 0 8 35 2 0 0 0 0 9 16 1 0 0 0 0 9 19 1 0 0 0 0 9 22 1 0 0 0 0 10 17 1 0 0 0 0 10 20 1 0 0 0 0 10 41 1 0 0 0 0 11 18 1 0 0 0 0 11 23 1 0 0 0 0 11 42 1 0 0 0 0 12 20 1 0 0 0 0 12 24 2 0 0 0 0 13 21 1 0 0 0 0 13 24 1 0 0 0 0 13 44 1 0 0 0 0 27 14 1 1 0 0 0 14 32 1 0 0 0 0 14 52 1 0 0 0 0 15 24 1 0 0 0 0 15 55 1 0 0 0 0 15 56 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 22 43 1 0 0 0 0 23 25 2 0 0 0 0 23 26 1 0 0 0 0 25 30 1 0 0 0 0 25 45 1 0 0 0 0 26 31 2 0 0 0 0 26 46 1 0 0 0 0 27 29 1 0 0 0 0 27 34 1 0 0 0 0 27 47 1 0 0 0 0 28 30 2 0 0 0 0 28 31 1 0 0 0 0 28 32 1 0 0 0 0 29 33 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 31 51 1 0 0 0 0 33 35 1 0 0 0 0 33 53 1 0 0 0 0 33 54 1 0 0 0 0 M CHG 3 1 2 5 -1 7 -1 M END $$$$