D01IEX -OEChem-04152110422D 58 60 0 0 0 0 0 0 0999 V2000 8.1962 3.1209 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.1117 -2.9577 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 9.9282 3.1276 0.0000 Na 0 3 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 9.0602 3.6242 0.0000 O 0 5 0 0 0 0 0 0 0 0 0 0 8.6995 2.2568 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6928 3.9850 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 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 6.4260 3.1314 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 7.3321 2.6176 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 4.6660 3.0968 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 7.2631 -1.4478 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 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 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 9.0066 -0.4678 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 5.8740 4.4351 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 8.1535 0.6621 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 9.5470 -0.1641 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 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 7 1 0 0 0 0 1 8 2 0 0 0 0 1 9 2 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 11 2 0 0 0 0 2 12 2 0 0 0 0 2 30 1 0 0 0 0 5 21 2 0 0 0 0 6 24 2 0 0 0 0 13 18 1 0 0 0 0 13 26 1 0 0 0 0 13 43 1 0 0 0 0 14 19 1 0 0 0 0 14 47 1 0 0 0 0 14 48 1 0 0 0 0 15 31 1 0 0 0 0 15 36 1 0 0 0 0 15 53 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 17 19 1 0 0 0 0 17 24 1 0 0 0 0 18 25 2 0 0 0 0 19 22 2 0 0 0 0 20 21 1 0 0 0 0 20 23 1 0 0 0 0 20 27 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 23 28 2 0 0 0 0 25 42 1 0 0 0 0 26 29 2 0 0 0 0 26 32 1 0 0 0 0 27 33 1 0 0 0 0 27 44 1 0 0 0 0 28 34 1 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 31 2 0 0 0 0 31 35 1 0 0 0 0 32 35 2 0 0 0 0 32 49 1 0 0 0 0 33 34 2 0 0 0 0 33 50 1 0 0 0 0 34 51 1 0 0 0 0 35 52 1 0 0 0 0 36 37 2 0 0 0 0 36 38 1 0 0 0 0 37 39 1 0 0 0 0 37 54 1 0 0 0 0 38 40 2 0 0 0 0 38 55 1 0 0 0 0 39 41 2 0 0 0 0 39 56 1 0 0 0 0 40 41 1 0 0 0 0 40 57 1 0 0 0 0 41 58 1 0 0 0 0 M CHG 4 3 1 4 1 7 -1 10 -1 M END $$$$