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Copy pathTACNZN.mol2
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TACNZN.mol2
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@<TRIPOS>MOLECULE
28 27 2
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 Zn1 9.3481 -0.1242 -0.9338 Zn 1 fragment1 1.0000
2 N1 10.4469 -0.2425 0.7504 N.3 2 fragment2 -0.3141
3 H1 11.1013 0.4903 0.9620 H 2 fragment2 0.1223
4 C1 9.4158 -0.3081 1.8386 C.3 2 fragment2 0.0080
5 H2 9.7554 0.2637 2.6911 H 2 fragment2 0.0441
6 H3 9.3326 -1.3324 2.1682 H 2 fragment2 0.0441
7 N2 7.5978 -0.2636 0.0636 N.3 2 fragment2 -0.3037
8 C2 8.0530 0.2474 1.4033 C.3 2 fragment2 0.0105
9 H4 7.3146 0.0161 2.1543 H 2 fragment2 0.0443
10 H5 8.1158 1.3267 1.3163 H 2 fragment2 0.0443
11 N3 9.4855 -2.1210 -1.1860 N.3 2 fragment2 -0.3141
12 H6 9.8333 -2.4856 -2.0554 H 2 fragment2 0.1223
13 C3 6.4411 0.5185 -0.4496 C.3 2 fragment2 -0.0132
14 H7 6.1956 0.1556 -1.4413 H 2 fragment2 0.0394
15 H8 6.7388 1.5565 -0.5447 H 2 fragment2 0.0394
16 C4 7.3280 -1.7468 0.0666 C.3 2 fragment2 0.0105
17 H9 6.2698 -1.9271 -0.0143 H 2 fragment2 0.0443
18 H10 7.6134 -2.1437 1.0273 H 2 fragment2 0.0443
19 C5 8.0410 -2.4926 -1.0701 C.3 2 fragment2 0.0080
20 H11 7.9360 -3.5585 -0.9112 H 2 fragment2 0.0441
21 H12 7.5837 -2.2596 -2.0246 H 2 fragment2 0.0441
22 C6 10.3520 -2.6152 -0.0683 C.3 2 fragment2 0.0078
23 H13 11.0008 -3.3990 -0.4330 H 2 fragment2 0.0441
24 H14 9.7174 -3.0608 0.6830 H 2 fragment2 0.0441
25 C7 11.2201 -1.5020 0.5377 C.3 2 fragment2 0.0078
26 H15 11.6468 -1.8485 1.4704 H 2 fragment2 0.0441
27 H16 12.0383 -1.2595 -0.1292 H 2 fragment2 0.0441
28 H17 5.3811 0.7569 -0.3616 H 2 fragment2 0.0394
@<TRIPOS>BOND
1 2 3 1
2 2 4 1
3 2 25 1
4 4 5 1
5 4 6 1
6 4 8 1
7 7 8 1
8 7 13 1
9 7 16 1
10 8 9 1
11 8 10 1
12 11 12 1
13 11 19 1
14 11 22 1
15 13 14 1
16 13 15 1
17 16 17 1
18 16 18 1
19 16 19 1
20 19 20 1
21 19 21 1
22 22 23 1
23 22 24 1
24 22 25 1
25 25 26 1
26 25 27 1
27 13 28 1
@<TRIPOS>SUBSTRUCTURE
1 fragment1 1
2 fragment2 2