D0N3FL -OEChem-10101305022D 57 60 0 0 0 0 0 0 0999 V2000 8.1117 -2.9577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.2284 -4.4476 0.0000 Na 0 3 0 0 0 0 0 0 0 0 0 0 4.6660 0.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 4.0968 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0641 2.6242 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1001 -3.9576 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.1923 4.1209 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1118 -2.9461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1116 -2.9692 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 0.0622 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.4144 4.1314 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.8552 -1.9778 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 1.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5321 2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 1.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 1.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8000 2.5968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4260 3.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6660 3.0968 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 2.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3321 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2746 -0.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 1.0621 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9061 3.1314 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1232 -1.9577 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2631 -1.4478 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9950 -1.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1464 0.0421 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0066 -0.4678 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.5760 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.6176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1962 3.1209 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7269 -1.4878 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5871 -1.9978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.7385 -0.4879 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4589 -1.5078 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6102 0.0021 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4704 -0.5079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8678 1.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 -0.2416 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 0.4421 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9132 3.7514 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7226 -1.7515 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1535 0.6621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5470 -0.1641 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9478 4.4476 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8740 4.4351 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 1.2639 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4643 2.9296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8480 -2.5977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5799 -2.6177 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2052 -0.1717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5998 2.9363 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9922 -1.8240 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6174 0.6220 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0109 -0.2041 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 26 1 0 0 0 0 3 17 2 0 0 0 0 4 20 2 0 0 0 0 5 33 1 0 0 0 0 5 54 1 0 0 0 0 7 33 2 0 0 0 0 10 15 1 0 0 0 0 10 23 1 0 0 0 0 10 41 1 0 0 0 0 11 19 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 28 1 0 0 0 0 12 34 1 0 0 0 0 12 51 1 0 0 0 0 13 14 1 0 0 0 0 13 15 2 0 0 0 0 13 17 1 0 0 0 0 14 19 2 0 0 0 0 14 20 1 0 0 0 0 15 22 1 0 0 0 0 16 17 1 0 0 0 0 16 18 1 0 0 0 0 16 24 2 0 0 0 0 18 20 1 0 0 0 0 18 25 2 0 0 0 0 19 21 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 40 1 0 0 0 0 23 27 2 0 0 0 0 23 29 1 0 0 0 0 24 31 1 0 0 0 0 24 42 1 0 0 0 0 25 32 1 0 0 0 0 25 43 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 44 1 0 0 0 0 28 30 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 32 2 0 0 0 0 31 49 1 0 0 0 0 32 50 1 0 0 0 0 34 35 2 0 0 0 0 34 36 1 0 0 0 0 35 37 1 0 0 0 0 35 52 1 0 0 0 0 36 38 2 0 0 0 0 36 53 1 0 0 0 0 37 39 2 0 0 0 0 37 55 1 0 0 0 0 38 39 1 0 0 0 0 38 56 1 0 0 0 0 39 57 1 0 0 0 0 M CHG 2 2 1 6 -1 M END $$$$