@MOLECULE 2,2',2''-[nitrilotris(methylene-1h-1,2,3-triazole-4,1-diyl)]triethanol 52 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -6.4741 -3.0162 -2.2052 O.3 1 UNL111111111 -0.5434 2 C -5.8639 -2.5228 -1.0263 C.3 1 UNL111111111 -0.0144 3 C -4.5933 -1.8002 -1.5295 C.3 1 UNL111111111 -0.1074 4 N -3.7608 -1.4030 -0.4047 N.ar 1 UNL111111111 -0.1667 5 C -2.4516 -1.7713 -0.1250 C.ar 1 UNL111111111 -0.1111 6 N -4.2436 -0.6160 0.6017 N.ar 1 UNL111111111 -0.0699 7 N -3.3183 -0.4682 1.4914 N.ar 1 UNL111111111 -0.2230 8 C -2.1678 -1.1634 1.1067 C.ar 1 UNL111111111 0.0075 9 C -0.9410 -1.2060 1.9410 C.3 1 UNL111111111 -0.0997 10 N -0.0206 -0.1079 1.5403 N.3 1 UNL111111111 -0.4058 11 C -0.5080 1.2076 2.0378 C.3 1 UNL111111111 -0.1015 12 C 0.0882 2.2777 1.2017 C.ar 1 UNL111111111 0.0104 13 C -0.3634 2.8409 0.0018 C.ar 1 UNL111111111 -0.1128 14 N 1.2910 2.9137 1.5244 N.ar 1 UNL111111111 -0.2232 15 N 1.5818 3.7925 0.6225 N.ar 1 UNL111111111 -0.0683 16 N 0.6023 3.7821 -0.3290 N.ar 1 UNL111111111 -0.1659 17 C 0.6111 4.7091 -1.4484 C.3 1 UNL111111111 -0.1066 18 C 0.5348 6.1674 -0.9346 C.3 1 UNL111111111 -0.0118 19 O 0.2570 6.9283 -2.0952 O.3 1 UNL111111111 -0.5483 20 C 1.3543 -0.3767 2.0445 C.3 1 UNL111111111 -0.1015 21 C 2.0303 -1.3321 1.1328 C.ar 1 UNL111111111 0.0109 22 C 2.8338 -1.0924 0.0109 C.ar 1 UNL111111111 -0.1155 23 N 1.9593 -2.7194 1.2979 N.ar 1 UNL111111111 -0.2217 24 N 2.6481 -3.3075 0.3756 N.ar 1 UNL111111111 -0.0682 25 N 3.1986 -2.3560 -0.4341 N.ar 1 UNL111111111 -0.1662 26 C 4.0880 -2.7043 -1.5300 C.3 1 UNL111111111 -0.1072 27 C 5.3723 -3.3736 -0.9829 C.3 1 UNL111111111 -0.0124 28 O 6.2417 -3.4242 -2.0975 O.3 1 UNL111111111 -0.5469 29 H -7.4426 -2.8527 -2.1812 H 1 UNL111111111 0.3220 30 H -6.5315 -1.8412 -0.4727 H 1 UNL111111111 0.1364 31 H -5.6243 -3.3980 -0.3961 H 1 UNL111111111 0.1412 32 H -4.0223 -2.4742 -2.2102 H 1 UNL111111111 0.1732 33 H -4.8789 -0.9033 -2.1297 H 1 UNL111111111 0.1707 34 H -1.8452 -2.3754 -0.7650 H 1 UNL111111111 0.1935 35 H -1.2066 -1.1732 3.0224 H 1 UNL111111111 0.1470 36 H -0.4167 -2.1837 1.7735 H 1 UNL111111111 0.1805 37 H -1.6238 1.2440 1.9486 H 1 UNL111111111 0.1789 38 H -0.2796 1.3746 3.1174 H 1 UNL111111111 0.1481 39 H -1.2296 2.6303 -0.5885 H 1 UNL111111111 0.1925 40 H 1.5380 4.5659 -2.0532 H 1 UNL111111111 0.1708 41 H -0.2512 4.5029 -2.1257 H 1 UNL111111111 0.1747 42 H -0.3138 6.3170 -0.2424 H 1 UNL111111111 0.1403 43 H 1.4742 6.4783 -0.4486 H 1 UNL111111111 0.1345 44 H 0.7608 7.7651 -2.0968 H 1 UNL111111111 0.3231 45 H 1.9310 0.5853 2.0617 H 1 UNL111111111 0.1788 46 H 1.3625 -0.7614 3.0922 H 1 UNL111111111 0.1472 47 H 3.1269 -0.1775 -0.4600 H 1 UNL111111111 0.1932 48 H 3.5696 -3.3968 -2.2355 H 1 UNL111111111 0.1713 49 H 4.3573 -1.7912 -2.1121 H 1 UNL111111111 0.1745 50 H 5.8700 -2.7466 -0.2194 H 1 UNL111111111 0.1407 51 H 5.1688 -4.3757 -0.5711 H 1 UNL111111111 0.1345 52 H 6.6958 -4.2872 -2.1485 H 1 UNL111111111 0.3227 @BOND 1 1 29 1 2 2 1 1 3 2 30 1 4 2 31 1 5 3 4 1 6 3 2 1 7 3 32 1 8 3 33 1 9 4 6 ar 10 5 4 ar 11 5 8 ar 12 5 34 1 13 6 7 ar 14 8 7 ar 15 9 8 1 16 9 10 1 17 9 35 1 18 9 36 1 19 10 20 1 20 11 10 1 21 11 37 1 22 11 38 1 23 12 14 ar 24 12 11 1 25 13 12 ar 26 13 39 1 27 15 14 ar 28 16 13 ar 29 16 15 ar 30 17 18 1 31 17 16 1 32 17 40 1 33 17 41 1 34 18 19 1 35 18 42 1 36 18 43 1 37 19 44 1 38 20 21 1 39 20 45 1 40 20 46 1 41 21 23 ar 42 21 22 ar 43 22 25 ar 44 22 47 1 45 23 24 ar 46 24 25 ar 47 25 26 1 48 26 27 1 49 26 48 1 50 26 49 1 51 27 28 1 52 27 50 1 53 27 51 1 54 28 52 1