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@<TRIPOS>MOLECULE
Cpptraj generated mol2 file.
36 35 3 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 H1 2.0000 1.0000 -0.0000 HC 1 ACE 0.112300
2 CH3 2.0000 2.0900 0.0000 CT 1 ACE -0.366200
3 H2 1.4863 2.4538 0.8898 HC 1 ACE 0.112300
4 H3 1.4863 2.4539 -0.8898 HC 1 ACE 0.112300
5 C 3.4274 2.6408 -0.0000 C 1 ACE 0.597200
6 O 4.3906 1.8774 -0.0000 O 1 ACE -0.567900
7 N 3.5554 3.9696 -0.0000 N 2 ARG -0.347900
8 H 2.7331 4.5562 -0.0000 H 2 ARG 0.274700
9 CA 4.8533 4.6139 -0.0000 CX 2 ARG -0.263700
10 HA 5.4076 4.3155 0.8898 H1 2 ARG 0.156000
11 CB 5.6613 4.2208 -1.2321 C8 2 ARG -0.000700
12 HB2 5.8085 3.1409 -1.2414 HC 2 ARG 0.032700
13 HB3 5.1233 4.5214 -2.1312 HC 2 ARG 0.032700
14 CG 7.0171 4.9181 -1.1946 C8 2 ARG 0.039000
15 HG2 6.8706 5.9981 -1.1858 HC 2 ARG 0.028500
16 HG3 7.5559 4.6177 -0.2960 HC 2 ARG 0.028500
17 CD 7.8251 4.5250 -2.4267 C8 2 ARG 0.048600
18 HD2 7.9723 3.4450 -2.4360 H1 2 ARG 0.068700
19 HD3 7.2871 4.8255 -3.3258 H1 2 ARG 0.068700
20 NE 9.1502 5.1842 -2.4245 N2 2 ARG -0.529500
21 HE 9.3830 5.7957 -1.6551 H 2 ARG 0.345600
22 CZ 10.0485 5.0082 -3.3894 CA 2 ARG 0.807600
23 NH1 9.8151 4.2189 -4.4341 N2 2 ARG -0.862700
24 HH11 8.9329 3.7328 -4.5089 H 2 ARG 0.447800
25 HH12 10.5211 4.1092 -5.1480 H 2 ARG 0.447800
26 NH2 11.2088 5.6501 -3.2870 N2 2 ARG -0.862700
27 HH21 11.3828 6.2487 -2.4923 H 2 ARG 0.447800
28 HH22 11.9105 5.5361 -4.0044 H 2 ARG 0.447800
29 C 4.7127 6.1294 0.0000 C 2 ARG 0.734100
30 O 3.6006 6.6527 0.0000 O 2 ARG -0.589400
31 N 5.8461 6.8349 0.0000 N 3 NME -0.415700
32 H 6.7370 6.3592 -0.0000 H 3 NME 0.271900
33 CH3 5.8461 8.2839 0.0000 CT 3 NME -0.149000
34 HH31 4.8186 8.6477 0.0000 H1 3 NME 0.097600
35 HH32 6.3598 8.6477 0.8898 H1 3 NME 0.097600
36 HH33 6.3598 8.6477 -0.8898 H1 3 NME 0.097600
@<TRIPOS>BOND
1 5 6 1
2 5 7 1
3 2 5 1
4 29 30 1
5 29 31 1
6 22 23 1
7 22 26 1
8 20 22 1
9 17 20 1
10 14 17 1
11 11 14 1
12 9 11 1
13 9 29 1
14 7 9 1
15 31 33 1
16 2 3 1
17 2 4 1
18 1 2 1
19 26 27 1
20 26 28 1
21 23 24 1
22 23 25 1
23 20 21 1
24 17 18 1
25 17 19 1
26 14 15 1
27 14 16 1
28 11 12 1
29 11 13 1
30 9 10 1
31 7 8 1
32 33 34 1
33 33 35 1
34 33 36 1
35 31 32 1
@<TRIPOS>SUBSTRUCTURE
1 ACE 1 **** 0 **** ****
2 ARG 7 **** 0 **** ****
3 NME 31 **** 0 **** ****
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