@MOLECULE (2s,3s,11s,12s)-1,4,7,10,13,16-hexaoxacyclooctadecane-2,3,11,12-tetracarboxylic acid 54 54 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.6094 -1.1669 -0.0678 O.3 1 UNL1111111111 -0.3617 2 O 1.6460 1.2270 -0.4123 O.3 1 UNL1111111111 -0.3532 3 O -1.6502 -1.2191 -0.4422 O.3 1 UNL1111111111 -0.3518 4 O -2.5780 1.1670 -0.0822 O.3 1 UNL1111111111 -0.3588 5 O 0.8830 -3.4945 -1.0158 O.3 1 UNL1111111111 -0.4045 6 O -0.8830 3.5015 -1.0310 O.3 1 UNL1111111111 -0.4038 7 O 1.4687 1.0671 2.3093 O.3 1 UNL1111111111 -0.5681 8 O 5.1136 0.5377 -0.4789 O.3 1 UNL1111111111 -0.5860 9 O -5.1158 -0.5302 -0.4318 O.3 1 UNL1111111111 -0.5859 10 O -1.4550 -1.0494 2.3120 O.3 1 UNL1111111111 -0.5688 11 O 1.2157 -1.1443 2.4332 O.2 1 UNL1111111111 -0.5824 12 O 3.8760 1.4574 -2.0925 O.2 1 UNL1111111111 -0.4705 13 O -3.9423 -1.5359 -2.0409 O.2 1 UNL1111111111 -0.4726 14 O -1.2025 1.1637 2.4227 O.2 1 UNL1111111111 -0.5815 15 C 2.9043 -0.2236 0.9302 C.3 1 UNL1111111111 0.0288 16 C 2.9272 1.1190 0.1552 C.3 1 UNL1111111111 0.0354 17 C -2.9164 -1.1159 0.1579 C.3 1 UNL1111111111 0.0349 18 C -2.8855 0.2336 0.9195 C.3 1 UNL1111111111 0.0285 19 C 2.6661 -2.5384 0.3155 C.3 1 UNL1111111111 -0.0996 20 C 1.2381 2.5718 -0.6809 C.3 1 UNL1111111111 -0.0705 21 C -1.2438 -2.5629 -0.7186 C.3 1 UNL1111111111 -0.0718 22 C -2.6790 2.5420 0.2811 C.3 1 UNL1111111111 -0.0997 23 C 2.2736 -3.2597 -0.9797 C.3 1 UNL1111111111 -0.0456 24 C -0.0917 2.3839 -1.4231 C.3 1 UNL1111111111 -0.0572 25 C 0.1058 -2.3730 -1.4239 C.3 1 UNL1111111111 -0.0570 26 C -2.2718 3.2551 -1.0141 C.3 1 UNL1111111111 -0.0454 27 C 1.7747 -0.1835 1.9514 C.2 1 UNL1111111111 0.6501 28 C 3.9552 1.0670 -0.9635 C.2 1 UNL1111111111 0.6084 29 C -3.9792 -1.0936 -0.9288 C.2 1 UNL1111111111 0.6082 30 C -1.7595 0.1990 1.9448 C.2 1 UNL1111111111 0.6493 31 H 3.8826 -0.4358 1.4224 H 1 UNL1111111111 0.1744 32 H 3.1586 1.9662 0.8485 H 1 UNL1111111111 0.1777 33 H -3.1194 -1.9595 0.8659 H 1 UNL1111111111 0.1782 34 H -3.8635 0.4562 1.4078 H 1 UNL1111111111 0.1750 35 H 1.9349 -2.7463 1.1205 H 1 UNL1111111111 0.1683 36 H 3.6828 -2.7914 0.6524 H 1 UNL1111111111 0.1240 37 H 1.9959 3.0796 -1.2991 H 1 UNL1111111111 0.1383 38 H 1.0917 3.1088 0.2748 H 1 UNL1111111111 0.1454 39 H -1.9914 -3.0535 -1.3640 H 1 UNL1111111111 0.1405 40 H -1.1244 -3.1180 0.2303 H 1 UNL1111111111 0.1449 41 H -1.9763 2.7767 1.1036 H 1 UNL1111111111 0.1670 42 H -3.7117 2.7724 0.5853 H 1 UNL1111111111 0.1240 43 H 2.6086 -2.7006 -1.8736 H 1 UNL1111111111 0.1416 44 H 2.6883 -4.2861 -1.0104 H 1 UNL1111111111 0.1448 45 H 0.0242 2.4354 -2.5188 H 1 UNL1111111111 0.1332 46 H 0.5708 -1.4091 -1.1318 H 1 UNL1111111111 0.1648 47 H -0.5609 1.4163 -1.1506 H 1 UNL1111111111 0.1650 48 H 0.0192 -2.4167 -2.5225 H 1 UNL1111111111 0.1329 49 H -2.5886 2.6860 -1.9076 H 1 UNL1111111111 0.1415 50 H -2.6948 4.2770 -1.0586 H 1 UNL1111111111 0.1446 51 H 0.5059 1.1834 2.6098 H 1 UNL1111111111 0.4052 52 H 5.8279 0.4523 -1.1527 H 1 UNL1111111111 0.3582 53 H -5.8557 -0.4801 -1.0816 H 1 UNL1111111111 0.3584 54 H -0.4954 -1.1641 2.6206 H 1 UNL1111111111 0.4050 @BOND 1 1 15 1 2 1 19 1 3 2 16 1 4 2 20 1 5 3 17 1 6 3 21 1 7 4 18 1 8 4 22 1 9 5 23 1 10 5 25 1 11 6 24 1 12 6 26 1 13 7 27 1 14 7 51 1 15 8 28 1 16 8 52 1 17 9 29 1 18 9 53 1 19 10 30 1 20 10 54 1 21 11 27 2 22 12 28 2 23 13 29 2 24 14 30 2 25 15 16 1 26 15 27 1 27 15 31 1 28 16 28 1 29 16 32 1 30 17 18 1 31 17 29 1 32 17 33 1 33 18 30 1 34 18 34 1 35 19 23 1 36 19 35 1 37 19 36 1 38 20 24 1 39 20 37 1 40 20 38 1 41 21 25 1 42 21 39 1 43 21 40 1 44 22 26 1 45 22 41 1 46 22 42 1 47 23 43 1 48 23 44 1 49 24 45 1 50 24 47 1 51 25 46 1 52 25 48 1 53 26 49 1 54 26 50 1