@MOLECULE 1,1',1'',1'''-(1,4,7,10-tetraazacyclododecane-1,4,7,10-tetrayl)tetra(2-propanol) 72 72 0 0 0 SMALL GASTEIGER @ATOM 1 O -0.5535 -3.9545 -0.6143 O.3 1 UNL1111111111 -0.6064 2 O 5.4796 2.0135 -0.8874 O.3 1 UNL1111111111 -0.5803 3 O -3.0349 4.7834 -0.8940 O.3 1 UNL1111111111 -0.5728 4 O -1.3079 -2.1649 1.2429 O.3 1 UNL1111111111 -0.6213 5 N -0.5762 -1.0673 -1.4647 N.3 1 UNL1111111111 -0.4440 6 N 2.5081 0.2511 0.3051 N.3 1 UNL1111111111 -0.4280 7 N -2.2890 1.2423 -0.2051 N.3 1 UNL1111111111 -0.4263 8 N -0.2656 0.2940 2.0828 N.3 1 UNL1111111111 -0.4408 9 C 0.5348 -0.1130 -1.2613 C.3 1 UNL1111111111 -0.1630 10 C -1.7621 -0.3709 -2.0246 C.3 1 UNL1111111111 -0.1144 11 C 1.5808 -0.7236 -0.2969 C.3 1 UNL1111111111 -0.1181 12 C -2.7154 -0.0243 -0.8528 C.3 1 UNL1111111111 -0.1266 13 C 1.8326 1.2762 1.1362 C.3 1 UNL1111111111 -0.1160 14 C -2.4590 1.1771 1.2698 C.3 1 UNL1111111111 -0.1259 15 C 1.1503 0.6330 2.3678 C.3 1 UNL1111111111 -0.1197 16 C -1.1129 1.5029 1.9710 C.3 1 UNL1111111111 -0.1177 17 C -0.1807 -2.2403 -2.2738 C.3 1 UNL1111111111 -0.1865 18 C 3.3647 0.8966 -0.7178 C.3 1 UNL1111111111 -0.1791 19 C -3.0201 2.3921 -0.7863 C.3 1 UNL1111111111 -0.1811 20 C -0.7880 -0.6754 3.0731 C.3 1 UNL1111111111 -0.1859 21 C -1.0480 -3.4519 -1.8328 C.3 1 UNL1111111111 0.1973 22 C 4.7793 1.0679 -0.1032 C.3 1 UNL1111111111 0.1863 23 C -2.2168 3.6921 -0.5225 C.3 1 UNL1111111111 0.1839 24 C -0.5991 -2.0902 2.4631 C.3 1 UNL1111111111 0.1928 25 C -0.9145 -4.6020 -2.8324 C.3 1 UNL1111111111 -0.4817 26 C 5.5359 -0.2526 -0.0328 C.3 1 UNL1111111111 -0.5005 27 C -0.8971 3.7229 -1.2846 C.3 1 UNL1111111111 -0.4970 28 C -1.2143 -3.1680 3.3514 C.3 1 UNL1111111111 -0.4785 29 H 0.0939 0.7961 -0.7753 H 1 UNL1111111111 0.1791 30 H 1.0112 0.2067 -2.2074 H 1 UNL1111111111 0.1088 31 H -2.3019 -1.0310 -2.7360 H 1 UNL1111111111 0.1316 32 H -1.4931 0.5488 -2.5840 H 1 UNL1111111111 0.1300 33 H 1.0483 -1.2483 0.5313 H 1 UNL1111111111 0.1709 34 H 2.1885 -1.5013 -0.8066 H 1 UNL1111111111 0.1378 35 H -3.7605 0.0171 -1.2228 H 1 UNL1111111111 0.1176 36 H -2.6853 -0.8675 -0.1203 H 1 UNL1111111111 0.1673 37 H 1.0989 1.8791 0.5569 H 1 UNL1111111111 0.1280 38 H 2.6144 1.9829 1.4969 H 1 UNL1111111111 0.1380 39 H -2.8044 0.1682 1.5905 H 1 UNL1111111111 0.1505 40 H -3.2286 1.8926 1.6302 H 1 UNL1111111111 0.1260 41 H 1.6967 -0.3041 2.6261 H 1 UNL1111111111 0.1588 42 H 1.2529 1.3137 3.2390 H 1 UNL1111111111 0.1123 43 H -0.5725 2.2612 1.3598 H 1 UNL1111111111 0.1524 44 H -1.3173 1.9687 2.9582 H 1 UNL1111111111 0.1104 45 H 0.8829 -2.4963 -2.0753 H 1 UNL1111111111 0.1548 46 H -0.2687 -2.0709 -3.3637 H 1 UNL1111111111 0.1194 47 H 3.4291 0.2706 -1.6297 H 1 UNL1111111111 0.1370 48 H 2.9886 1.8870 -1.0498 H 1 UNL1111111111 0.1343 49 H -4.0496 2.5128 -0.3874 H 1 UNL1111111111 0.1319 50 H -3.1225 2.2450 -1.8821 H 1 UNL1111111111 0.1385 51 H -0.2909 -0.6124 4.0604 H 1 UNL1111111111 0.1242 52 H -1.8696 -0.5094 3.2586 H 1 UNL1111111111 0.1465 53 H -2.1098 -3.1561 -1.6883 H 1 UNL1111111111 0.1108 54 H 4.7341 1.5726 0.8878 H 1 UNL1111111111 0.1403 55 H -2.0754 3.8692 0.5669 H 1 UNL1111111111 0.1381 56 H 0.4747 -2.2941 2.2492 H 1 UNL1111111111 0.1178 57 H 0.1359 -4.8759 -2.9827 H 1 UNL1111111111 0.1548 58 H -1.3567 -4.3554 -3.7993 H 1 UNL1111111111 0.1385 59 H -1.4150 -5.4979 -2.4410 H 1 UNL1111111111 0.1611 60 H 6.5264 -0.1180 0.4147 H 1 UNL1111111111 0.1511 61 H 4.9793 -0.9723 0.5870 H 1 UNL1111111111 0.1767 62 H 5.6722 -0.7070 -1.0182 H 1 UNL1111111111 0.1438 63 H -0.3411 4.6440 -1.0753 H 1 UNL1111111111 0.1576 64 H -0.2691 2.8678 -0.9967 H 1 UNL1111111111 0.1664 65 H -1.0456 3.6597 -2.3670 H 1 UNL1111111111 0.1465 66 H -1.1118 -4.1542 2.8755 H 1 UNL1111111111 0.1671 67 H -0.7361 -3.2101 4.3324 H 1 UNL1111111111 0.1427 68 H -2.2894 -3.0026 3.4895 H 1 UNL1111111111 0.1567 69 H -0.7690 -3.3264 0.1233 H 1 UNL1111111111 0.3606 70 H 5.7752 1.6327 -1.7326 H 1 UNL1111111111 0.3143 71 H -3.1024 4.8690 -1.8623 H 1 UNL1111111111 0.3141 72 H -1.0369 -1.4119 0.6323 H 1 UNL1111111111 0.3861 @BOND 1 1 21 1 2 1 69 1 3 2 22 1 4 2 70 1 5 3 23 1 6 3 71 1 7 4 24 1 8 4 72 1 9 5 9 1 10 5 10 1 11 5 17 1 12 6 11 1 13 6 13 1 14 6 18 1 15 7 12 1 16 7 14 1 17 7 19 1 18 8 15 1 19 8 16 1 20 8 20 1 21 9 11 1 22 9 29 1 23 9 30 1 24 10 12 1 25 10 31 1 26 10 32 1 27 11 33 1 28 11 34 1 29 12 35 1 30 12 36 1 31 13 15 1 32 13 37 1 33 13 38 1 34 14 16 1 35 14 39 1 36 14 40 1 37 15 41 1 38 15 42 1 39 16 43 1 40 16 44 1 41 17 21 1 42 17 45 1 43 17 46 1 44 18 22 1 45 18 47 1 46 18 48 1 47 19 23 1 48 19 49 1 49 19 50 1 50 20 24 1 51 20 51 1 52 20 52 1 53 21 25 1 54 21 53 1 55 22 26 1 56 22 54 1 57 23 27 1 58 23 55 1 59 24 28 1 60 24 56 1 61 25 57 1 62 25 58 1 63 25 59 1 64 26 60 1 65 26 61 1 66 26 62 1 67 27 63 1 68 27 64 1 69 27 65 1 70 28 66 1 71 28 67 1 72 28 68 1