E0KF3M -OEChem-05082103142D 35 31 0 0 0 0 0 0 0999 V2000 3.6310 -3.9135 0.0000 Ca 0 2 0 0 0 0 0 0 0 0 0 0 5.9356 3.9135 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 9.3621 0.8706 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.6310 -3.9135 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.9239 -3.2064 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.9794 -0.0533 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 5.5530 2.9896 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 6.2620 -3.5891 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.8237 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6053 -1.1077 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1532 2.3268 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6310 -1.4993 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3878 0.4790 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0137 -0.5754 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0051 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 -2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6310 -1.4993 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3792 0.6095 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7790 1.2724 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3381 -3.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9239 -2.2064 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9880 -0.1838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1617 2.1962 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0407 0.0440 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4084 -0.4412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 -1.0643 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 -0.5791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9370 -2.3668 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6481 -1.6694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7914 -0.9004 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0941 -1.1893 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9292 0.8958 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1928 1.2008 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2561 1.6055 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3602 0.8153 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4 20 1 0 0 0 0 5 21 1 0 0 0 0 6 22 1 0 0 0 0 7 23 1 0 0 0 0 8 20 2 0 0 0 0 9 21 2 0 0 0 0 10 22 2 0 0 0 0 11 23 2 0 0 0 0 12 14 1 0 0 0 0 12 16 1 0 0 0 0 12 17 1 0 0 0 0 13 15 1 0 0 0 0 13 18 1 0 0 0 0 13 19 1 0 0 0 0 14 15 1 0 0 0 0 14 24 1 0 0 0 0 14 25 1 0 0 0 0 15 26 1 0 0 0 0 15 27 1 0 0 0 0 16 20 1 0 0 0 0 16 28 1 0 0 0 0 16 29 1 0 0 0 0 17 21 1 0 0 0 0 17 30 1 0 0 0 0 17 31 1 0 0 0 0 18 22 1 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 19 23 1 0 0 0 0 19 34 1 0 0 0 0 19 35 1 0 0 0 0 M CHG 7 1 2 2 1 3 1 4 -1 5 -1 6 -1 7 -1 M END $$$$