@MOLECULE n,n,n',n'-tetrakis(2-pyridylmethyl)ethane-1,2-diamine 60 63 0 0 0 SMALL USER_CHARGES @ATOM 1 N 0.8367 -1.1487 1.5309 N.3 1 UNL11 -0.4523 2 N -0.8438 -1.1186 -1.5319 N.3 1 UNL11 -0.4501 3 N 3.6044 -2.6522 0.0869 N.ar 1 UNL11 -0.4139 4 N 1.0183 1.8702 2.5430 N.ar 1 UNL11 -0.3958 5 N -3.5962 -2.6309 -0.0849 N.ar 1 UNL11 -0.4138 6 N -0.9981 1.9252 -2.5150 N.ar 1 UNL11 -0.3958 7 C -0.2150 -1.8105 0.7370 C.3 1 UNL11 -0.1066 8 C 0.2173 -1.7871 -0.7557 C.3 1 UNL11 -0.1085 9 C 1.9933 -2.0252 1.7999 C.3 1 UNL11 -0.1061 10 C 0.3189 -0.4525 2.7225 C.3 1 UNL11 -0.1034 11 C -1.9950 -2.0015 -1.8060 C.3 1 UNL11 -0.1074 12 C -0.3385 -0.4070 -2.7204 C.3 1 UNL11 -0.1048 13 C 3.0629 -1.6420 0.7957 C.ar 1 UNL11 0.1914 14 C 0.0359 0.9792 2.3009 C.ar 1 UNL11 0.2075 15 C -3.0730 -1.6220 -0.8094 C.ar 1 UNL11 0.1915 16 C -0.0311 1.0148 -2.2835 C.ar 1 UNL11 0.2079 17 C 3.4442 -0.3021 0.6160 C.ar 1 UNL11 -0.2230 18 C -1.1806 1.3444 1.7045 C.ar 1 UNL11 -0.2444 19 C -3.4813 -0.2873 -0.6544 C.ar 1 UNL11 -0.2230 20 C 1.1923 1.3534 -1.6857 C.ar 1 UNL11 -0.2454 21 C 4.4032 -0.0095 -0.3458 C.ar 1 UNL11 -0.0859 22 C -1.3762 2.6765 1.3539 C.ar 1 UNL11 -0.0636 23 C -4.4573 0.0013 0.2915 C.ar 1 UNL11 -0.0846 24 C 1.4112 2.6777 -1.3200 C.ar 1 UNL11 -0.0635 25 C 4.5383 -2.3575 -0.8384 C.ar 1 UNL11 0.0500 26 C 0.8200 3.1555 2.1962 C.ar 1 UNL11 0.0550 27 C -4.5435 -2.3395 0.8276 C.ar 1 UNL11 0.0501 28 C -0.7765 3.2033 -2.1559 C.ar 1 UNL11 0.0551 29 C 4.9603 -1.0485 -1.0935 C.ar 1 UNL11 -0.2542 30 C -0.3665 3.6053 1.6056 C.ar 1 UNL11 -0.2589 31 C -5.0006 -1.0364 1.0511 C.ar 1 UNL11 -0.2548 32 C 0.4173 3.6263 -1.5602 C.ar 1 UNL11 -0.2584 33 H -0.4243 -2.8491 1.0636 H 1 UNL11 0.1264 34 H -1.1685 -1.2430 0.8461 H 1 UNL11 0.1617 35 H 1.1621 -1.2025 -0.8485 H 1 UNL11 0.1618 36 H 0.4416 -2.8134 -1.1105 H 1 UNL11 0.1259 37 H 2.3995 -1.8835 2.8264 H 1 UNL11 0.1493 38 H 1.7444 -3.1087 1.7106 H 1 UNL11 0.1552 39 H -0.5995 -0.9182 3.1412 H 1 UNL11 0.1326 40 H 1.0771 -0.4493 3.5422 H 1 UNL11 0.1636 41 H -2.3958 -1.8659 -2.8353 H 1 UNL11 0.1485 42 H -1.7407 -3.0834 -1.7109 H 1 UNL11 0.1558 43 H 0.5662 -0.8760 -3.1644 H 1 UNL11 0.1324 44 H -1.1121 -0.3815 -3.5256 H 1 UNL11 0.1641 45 H 2.9671 0.4787 1.2143 H 1 UNL11 0.1977 46 H -1.9446 0.5991 1.4976 H 1 UNL11 0.1706 47 H -3.0130 0.4936 -1.2590 H 1 UNL11 0.1969 48 H 1.9439 0.5927 -1.4893 H 1 UNL11 0.1708 49 H 4.7168 1.0192 -0.5162 H 1 UNL11 0.1538 50 H -2.3070 2.9887 0.8818 H 1 UNL11 0.1536 51 H -4.7960 1.0257 0.4386 H 1 UNL11 0.1539 52 H 2.3473 2.9681 -0.8448 H 1 UNL11 0.1535 53 H 4.9464 -3.2131 -1.3858 H 1 UNL11 0.1626 54 H 1.6504 3.8366 2.4103 H 1 UNL11 0.1623 55 H -4.9350 -3.1927 1.3910 H 1 UNL11 0.1626 56 H -1.5940 3.9008 -2.3650 H 1 UNL11 0.1622 57 H 5.7052 -0.8488 -1.8555 H 1 UNL11 0.1585 58 H -0.4935 4.6499 1.3471 H 1 UNL11 0.1574 59 H -5.7623 -0.8405 1.7975 H 1 UNL11 0.1584 60 H 0.5615 4.6658 -1.2896 H 1 UNL11 0.1576 @BOND 1 57 29 1 2 43 12 1 3 44 12 1 4 53 25 1 5 29 25 ar 6 29 21 ar 7 12 16 1 8 12 2 1 9 25 3 ar 10 16 6 ar 11 16 20 ar 12 6 28 ar 13 48 20 1 14 49 21 1 15 20 24 ar 16 41 11 1 17 28 56 1 18 28 32 ar 19 21 17 ar 20 24 32 ar 21 24 52 1 22 32 60 1 23 36 8 1 24 2 11 1 25 2 8 1 26 35 8 1 27 11 42 1 28 11 15 1 29 3 13 ar 30 8 7 1 31 17 13 ar 32 17 45 1 33 47 19 1 34 13 9 1 35 15 19 ar 36 15 5 ar 37 19 23 ar 38 7 33 1 39 7 34 1 40 7 1 1 41 38 9 1 42 9 1 1 43 9 37 1 44 5 27 ar 45 1 10 1 46 58 30 1 47 50 22 1 48 30 22 ar 49 30 26 ar 50 23 51 1 51 23 31 ar 52 22 18 ar 53 54 26 1 54 26 4 ar 55 18 46 1 56 18 14 ar 57 4 14 ar 58 14 10 1 59 27 31 ar 60 27 55 1 61 10 40 1 62 10 39 1 63 31 59 1