@MOLECULE n,n'-dibutyl-n,n'-dicarboxymorpholideethylenediamine 66 67 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.0420 -3.6868 2.2807 O.3 1 UNL1111111111 -0.3821 2 O 1.4591 4.3851 1.7323 O.3 1 UNL1111111111 -0.3816 3 O -1.8928 -0.1206 0.9433 O.2 1 UNL1111111111 -0.5600 4 O 1.6043 0.6129 1.5322 O.2 1 UNL1111111111 -0.5677 5 N -1.3011 -0.4547 -1.2360 N.am 1 UNL1111111111 -0.4908 6 N 1.7718 0.2137 -0.7058 N.am 1 UNL1111111111 -0.4878 7 N -0.5995 -1.9994 0.4742 N.am 1 UNL1111111111 -0.4926 8 N 0.6374 2.1791 0.1008 N.am 1 UNL1111111111 -0.4910 9 C -0.1375 -0.7739 -2.0658 C.3 1 UNL1111111111 -0.1023 10 C 1.0248 0.2567 -1.9649 C.3 1 UNL1111111111 -0.1025 11 C -1.9965 0.8102 -1.5692 C.3 1 UNL1111111111 -0.0714 12 C 2.4646 -1.0550 -0.3995 C.3 1 UNL1111111111 -0.0825 13 C -1.3034 -0.7944 0.1206 C.2 1 UNL1111111111 0.6866 14 C 1.3510 0.9607 0.3938 C.2 1 UNL1111111111 0.6887 15 C -0.2758 -2.0671 1.9176 C.3 1 UNL1111111111 -0.1334 16 C -1.2770 -3.2354 0.0248 C.3 1 UNL1111111111 -0.1341 17 C 1.5115 3.2577 -0.4116 C.3 1 UNL1111111111 -0.1353 18 C -0.1692 2.6527 1.2493 C.3 1 UNL1111111111 -0.1337 19 C -3.5169 0.5725 -1.5370 C.3 1 UNL1111111111 -0.2860 20 C 3.6652 -1.2365 -1.3440 C.3 1 UNL1111111111 -0.2854 21 C -1.4911 -2.4724 2.7656 C.3 1 UNL1111111111 -0.0754 22 C -2.4682 -3.5929 0.9357 C.3 1 UNL1111111111 -0.0783 23 C 2.3267 3.9135 0.7202 C.3 1 UNL1111111111 -0.0794 24 C 0.6886 3.3475 2.3182 C.3 1 UNL1111111111 -0.0754 25 C -4.2535 1.8403 -1.9822 C.3 1 UNL1111111111 -0.2462 26 C 4.4548 -2.4867 -0.9382 C.3 1 UNL1111111111 -0.2467 27 C -5.7664 1.6237 -1.9476 C.3 1 UNL1111111111 -0.4404 28 C 5.6470 -2.7011 -1.8699 C.3 1 UNL1111111111 -0.4439 29 H -0.4780 -0.8290 -3.1257 H 1 UNL1111111111 0.1458 30 H 0.2389 -1.7903 -1.8048 H 1 UNL1111111111 0.1665 31 H 0.6240 1.2847 -2.1254 H 1 UNL1111111111 0.1669 32 H 1.7426 0.0645 -2.7959 H 1 UNL1111111111 0.1449 33 H -1.7170 1.6151 -0.8470 H 1 UNL1111111111 0.1624 34 H -1.6833 1.1513 -2.5772 H 1 UNL1111111111 0.1307 35 H 2.8203 -1.0340 0.6604 H 1 UNL1111111111 0.1740 36 H 1.7658 -1.9189 -0.4675 H 1 UNL1111111111 0.1489 37 H 0.5447 -2.8105 2.0285 H 1 UNL1111111111 0.1529 38 H 0.1307 -1.0830 2.2529 H 1 UNL1111111111 0.1809 39 H -1.6073 -3.1277 -1.0289 H 1 UNL1111111111 0.1475 40 H -0.5187 -4.0509 0.0537 H 1 UNL1111111111 0.1568 41 H 2.1829 2.8617 -1.2007 H 1 UNL1111111111 0.1460 42 H 0.8473 4.0142 -0.8889 H 1 UNL1111111111 0.1577 43 H -0.9280 3.3561 0.8395 H 1 UNL1111111111 0.1527 44 H -0.7282 1.7915 1.6875 H 1 UNL1111111111 0.1810 45 H -3.8281 0.2898 -0.5104 H 1 UNL1111111111 0.1645 46 H -3.7843 -0.2827 -2.1822 H 1 UNL1111111111 0.1405 47 H 4.3138 -0.3410 -1.3041 H 1 UNL1111111111 0.1491 48 H 3.3306 -1.3219 -2.3926 H 1 UNL1111111111 0.1331 49 H -1.2113 -2.7284 3.8017 H 1 UNL1111111111 0.1432 50 H -2.2678 -1.6849 2.7701 H 1 UNL1111111111 0.1494 51 H -2.8607 -4.6033 0.7299 H 1 UNL1111111111 0.1412 52 H -3.2839 -2.8525 0.8538 H 1 UNL1111111111 0.1324 53 H 2.8397 4.8312 0.3861 H 1 UNL1111111111 0.1410 54 H 3.0617 3.2128 1.1551 H 1 UNL1111111111 0.1340 55 H 1.3573 2.6326 2.8338 H 1 UNL1111111111 0.1502 56 H 0.0762 3.8883 3.0595 H 1 UNL1111111111 0.1431 57 H -3.9800 2.6870 -1.3224 H 1 UNL1111111111 0.1402 58 H -3.9370 2.1305 -3.0010 H 1 UNL1111111111 0.1263 59 H 4.8068 -2.3904 0.1076 H 1 UNL1111111111 0.1406 60 H 3.7962 -3.3762 -0.9561 H 1 UNL1111111111 0.1357 61 H -6.1094 1.3708 -0.9371 H 1 UNL1111111111 0.1480 62 H -6.3052 2.5236 -2.2624 H 1 UNL1111111111 0.1379 63 H -6.0707 0.8074 -2.6114 H 1 UNL1111111111 0.1399 64 H 6.3331 -1.8469 -1.8469 H 1 UNL1111111111 0.1439 65 H 6.2211 -3.5892 -1.5830 H 1 UNL1111111111 0.1415 66 H 5.3272 -2.8385 -2.9083 H 1 UNL1111111111 0.1393 @BOND 1 1 21 1 2 1 22 1 3 2 23 1 4 2 24 1 5 3 13 2 6 4 14 2 7 5 9 1 8 5 11 1 9 5 13 am 10 6 10 1 11 6 12 1 12 6 14 am 13 7 13 am 14 7 15 1 15 7 16 1 16 8 14 am 17 8 17 1 18 8 18 1 19 9 10 1 20 9 29 1 21 9 30 1 22 10 31 1 23 10 32 1 24 11 19 1 25 11 33 1 26 11 34 1 27 12 20 1 28 12 35 1 29 12 36 1 30 15 21 1 31 15 37 1 32 15 38 1 33 16 22 1 34 16 39 1 35 16 40 1 36 17 23 1 37 17 41 1 38 17 42 1 39 18 24 1 40 18 43 1 41 18 44 1 42 19 25 1 43 19 45 1 44 19 46 1 45 20 26 1 46 20 47 1 47 20 48 1 48 21 49 1 49 21 50 1 50 22 51 1 51 22 52 1 52 23 53 1 53 23 54 1 54 24 55 1 55 24 56 1 56 25 27 1 57 25 57 1 58 25 58 1 59 26 28 1 60 26 59 1 61 26 60 1 62 27 61 1 63 27 62 1 64 27 63 1 65 28 64 1 66 28 65 1 67 28 66 1