D0O4QR -OEChem-10101305032D 57 58 0 1 0 0 0 0 0999 V2000 9.3493 -1.1933 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.7512 0.3067 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.7807 1.8012 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 16.1835 -1.6889 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 3.3067 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 2.0000 4.0453 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 11.9293 1.0194 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 2.3067 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 10.2153 2.3067 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 13.1565 -0.1837 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.3741 -3.0799 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9945 3.9408 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 2.8135 2.2182 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 0.3067 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9293 -1.4060 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.3406 -2.8231 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9716 0.4000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.9281 -0.6680 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 16.5575 0.0534 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.2153 -0.6933 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2236 -0.6974 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2236 0.3109 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 0.3067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4833 -0.6933 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6172 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3493 1.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8957 -1.1491 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6014 -1.8577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8852 0.8067 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5678 -1.6009 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8025 2.0092 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3025 1.1431 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3437 -2.2318 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 2.9227 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3080 1.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9266 -0.7224 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 3.0272 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1133 -4.0453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4336 -1.5148 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9846 -1.2695 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8727 -0.5856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2712 -1.2759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7676 -2.0045 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0158 1.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2187 1.2817 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3099 -2.8509 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9974 3.0727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3525 3.5412 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2432 1.6552 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 0.9738 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3728 0.4220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5148 -3.8836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9516 -4.6439 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7118 -4.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1697 -0.0448 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3365 0.6327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 25 1 0 0 0 0 2 26 1 0 0 0 0 2 30 1 0 0 0 0 3 30 1 0 0 0 0 3 32 1 0 0 0 0 4 34 1 0 0 0 0 4 37 1 0 0 0 0 7 22 2 0 0 0 0 8 27 1 0 0 0 0 9 27 2 0 0 0 0 10 28 2 0 0 0 0 11 16 1 0 0 0 0 11 39 1 0 0 0 0 12 38 1 0 0 0 0 13 38 2 0 0 0 0 14 20 1 0 0 0 0 14 22 1 0 0 0 0 14 23 1 0 0 0 0 21 15 1 1 0 0 0 15 28 1 0 0 0 0 15 44 1 0 0 0 0 16 29 2 0 0 0 0 17 30 2 0 0 0 0 17 33 1 0 0 0 0 18 31 1 0 0 0 0 18 37 2 0 0 0 0 19 37 1 0 0 0 0 19 56 1 0 0 0 0 19 57 1 0 0 0 0 20 21 1 0 0 0 0 20 40 1 6 0 0 0 21 22 1 0 0 0 0 21 41 1 0 0 0 0 23 24 2 0 0 0 0 23 27 1 0 0 0 0 24 25 1 0 0 0 0 24 26 1 0 0 0 0 25 42 1 0 0 0 0 25 43 1 0 0 0 0 26 45 1 0 0 0 0 26 46 1 0 0 0 0 28 29 1 0 0 0 0 29 31 1 0 0 0 0 31 34 2 0 0 0 0 32 33 2 0 0 0 0 32 35 1 0 0 0 0 33 36 1 0 0 0 0 34 47 1 0 0 0 0 35 38 1 0 0 0 0 35 48 1 0 0 0 0 35 49 1 0 0 0 0 36 50 1 0 0 0 0 36 51 1 0 0 0 0 36 52 1 0 0 0 0 39 53 1 0 0 0 0 39 54 1 0 0 0 0 39 55 1 0 0 0 0 M CHG 4 5 1 6 1 8 -1 12 -1 M END $$$$