@MOLECULE 1,1'-[(2s,3s)-2,3-bis(methoxymethyl)-1,4-butanediyl]bis(3,4-dimethoxybenzene) 64 65 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.1786 2.1251 -1.4177 O.3 1 UNL1111111111 -0.3724 2 O 0.1599 -2.1473 -1.4162 O.3 1 UNL1111111111 -0.3728 3 O 5.9470 -1.6353 -0.4556 O.3 1 UNL1111111111 -0.2767 4 O -5.9438 1.6413 -0.4374 O.3 1 UNL1111111111 -0.2782 5 O 7.0643 0.5428 0.2079 O.3 1 UNL1111111111 -0.2785 6 O -7.0487 -0.5351 0.1790 O.3 1 UNL1111111111 -0.2799 7 C 0.7074 0.3052 -0.1977 C.3 1 UNL1111111111 -0.1202 8 C -0.7040 -0.3163 -0.1935 C.3 1 UNL1111111111 -0.1185 9 C 1.5186 -0.0686 1.0556 C.3 1 UNL1111111111 -0.2970 10 C -1.5088 0.0577 1.0671 C.3 1 UNL1111111111 -0.2971 11 C 0.6422 1.8387 -0.2921 C.3 1 UNL1111111111 -0.0663 12 C -0.6385 -1.8507 -0.2777 C.3 1 UNL1111111111 -0.0669 13 C 2.9797 0.1604 0.8215 C.ar 1 UNL1111111111 0.0247 14 C -2.9717 -0.1569 0.8362 C.ar 1 UNL1111111111 0.0245 15 C 3.7353 -0.8732 0.2500 C.ar 1 UNL1111111111 -0.2724 16 C -3.7257 0.8784 0.2596 C.ar 1 UNL1111111111 -0.2715 17 C 3.5847 1.3614 1.1628 C.ar 1 UNL1111111111 -0.1917 18 C -3.5820 -1.3523 1.1870 C.ar 1 UNL1111111111 -0.1913 19 C 5.0970 -0.7073 0.0617 C.ar 1 UNL1111111111 0.1669 20 C -5.0866 0.7134 0.0699 C.ar 1 UNL1111111111 0.1671 21 C 4.9578 1.5452 0.9612 C.ar 1 UNL1111111111 -0.2305 22 C -4.9542 -1.5401 0.9701 C.ar 1 UNL1111111111 -0.2319 23 C -0.2353 3.5118 -1.6889 C.3 1 UNL1111111111 -0.2042 24 C 0.2118 -3.5370 -1.6757 C.3 1 UNL1111111111 -0.2041 25 C 5.7196 0.5182 0.4292 C.ar 1 UNL1111111111 0.1329 26 C -5.7104 -0.5153 0.4275 C.ar 1 UNL1111111111 0.1347 27 C 5.3641 -2.8763 -0.8362 C.3 1 UNL1111111111 -0.2142 28 C -5.3743 2.8789 -0.8469 C.3 1 UNL1111111111 -0.2134 29 C 7.7376 1.7466 0.5456 C.3 1 UNL1111111111 -0.2145 30 C -7.7538 -1.7112 0.5493 C.3 1 UNL1111111111 -0.2131 31 H 1.2389 -0.0889 -1.1136 H 1 UNL1111111111 0.1755 32 H -1.2412 0.0678 -1.1002 H 1 UNL1111111111 0.1746 33 H 1.3411 -1.1347 1.3131 H 1 UNL1111111111 0.1554 34 H 1.1599 0.5027 1.9349 H 1 UNL1111111111 0.1462 35 H -1.3178 1.1197 1.3290 H 1 UNL1111111111 0.1554 36 H -1.1532 -0.5206 1.9397 H 1 UNL1111111111 0.1457 37 H 0.1925 2.2919 0.6069 H 1 UNL1111111111 0.1107 38 H 1.6506 2.2624 -0.4511 H 1 UNL1111111111 0.1258 39 H -0.1691 -2.2956 0.6167 H 1 UNL1111111111 0.1106 40 H -1.6499 -2.2763 -0.4128 H 1 UNL1111111111 0.1261 41 H 3.2335 -1.7910 -0.0427 H 1 UNL1111111111 0.1715 42 H -3.2246 1.7974 -0.0343 H 1 UNL1111111111 0.1716 43 H 3.0005 2.1685 1.5951 H 1 UNL1111111111 0.1507 44 H -3.0021 -2.1551 1.6360 H 1 UNL1111111111 0.1507 45 H 5.4100 2.4954 1.2349 H 1 UNL1111111111 0.1587 46 H -5.4138 -2.4904 1.2415 H 1 UNL1111111111 0.1589 47 H -0.6797 4.0572 -0.8520 H 1 UNL1111111111 0.1146 48 H 0.7579 3.9063 -1.9262 H 1 UNL1111111111 0.1198 49 H -0.8835 3.5681 -2.5715 H 1 UNL1111111111 0.1432 50 H 0.6524 -4.0794 -0.8344 H 1 UNL1111111111 0.1146 51 H -0.7828 -3.9283 -1.9118 H 1 UNL1111111111 0.1201 52 H 0.8614 -3.6017 -2.5567 H 1 UNL1111111111 0.1431 53 H 4.9588 -3.4008 0.0343 H 1 UNL1111111111 0.1321 54 H 4.6000 -2.7366 -1.6079 H 1 UNL1111111111 0.1387 55 H 6.2293 -3.4187 -1.2405 H 1 UNL1111111111 0.1525 56 H -4.9449 3.4161 0.0036 H 1 UNL1111111111 0.1320 57 H -4.6376 2.7305 -1.6408 H 1 UNL1111111111 0.1383 58 H -6.2540 3.4135 -1.2328 H 1 UNL1111111111 0.1525 59 H 7.3840 2.5803 -0.0673 H 1 UNL1111111111 0.1329 60 H 7.6480 1.9657 1.6140 H 1 UNL1111111111 0.1323 61 H 8.7805 1.5015 0.2945 H 1 UNL1111111111 0.1536 62 H -7.4159 -2.5674 -0.0419 H 1 UNL1111111111 0.1325 63 H -7.6711 -1.9067 1.6199 H 1 UNL1111111111 0.1322 64 H -8.7853 -1.4472 0.2840 H 1 UNL1111111111 0.1535 @BOND 1 1 11 1 2 1 23 1 3 2 12 1 4 2 24 1 5 3 19 1 6 3 27 1 7 4 20 1 8 4 28 1 9 5 25 1 10 5 29 1 11 6 26 1 12 6 30 1 13 7 8 1 14 7 9 1 15 7 11 1 16 7 31 1 17 8 10 1 18 8 12 1 19 8 32 1 20 9 13 1 21 9 33 1 22 9 34 1 23 10 14 1 24 10 35 1 25 10 36 1 26 11 37 1 27 11 38 1 28 12 39 1 29 12 40 1 30 13 15 ar 31 13 17 ar 32 14 16 ar 33 14 18 ar 34 15 19 ar 35 15 41 1 36 16 20 ar 37 16 42 1 38 17 21 ar 39 17 43 1 40 18 22 ar 41 18 44 1 42 19 25 ar 43 20 26 ar 44 21 25 ar 45 21 45 1 46 22 26 ar 47 22 46 1 48 23 47 1 49 23 48 1 50 23 49 1 51 24 50 1 52 24 51 1 53 24 52 1 54 27 53 1 55 27 54 1 56 27 55 1 57 28 56 1 58 28 57 1 59 28 58 1 60 29 59 1 61 29 60 1 62 29 61 1 63 30 62 1 64 30 63 1 65 30 64 1