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@<TRIPOS>MOLECULE
Cpptraj Generated mol2 file.
42 41 3 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 CAY -2.0906 -0.0955 0.9275 24 1 ALA -0.270000
2 HY1 -2.5600 0.3828 0.0413 3 1 ALA 0.090000
3 HY2 -2.5662 0.2512 1.8698 3 1 ALA 0.090000
4 HY3 -2.0899 -1.2035 1.0091 3 1 ALA 0.090000
5 CY -0.6387 0.2489 0.9784 20 1 ALA 0.510000
6 OY -0.1237 0.7218 1.9533 70 1 ALA -0.510000
7 N 0.1098 -0.0076 -0.1343 54 1 ALA -0.470000
8 HN -0.2312 -0.3590 -1.0027 1 1 ALA 0.310000
9 CA 1.5952 0.0529 -0.0930 22 1 ALA 0.070000
10 HA 1.9013 -0.2881 0.8850 6 1 ALA 0.090000
11 CB 2.1775 -0.9264 -1.0821 24 1 ALA -0.270000
12 HB1 1.8356 -1.9672 -0.8972 3 1 ALA 0.090000
13 HB2 1.8265 -0.8197 -2.1308 3 1 ALA 0.090000
14 HB3 3.2876 -0.8887 -1.1051 3 1 ALA 0.090000
15 C 2.1752 1.4544 -0.2647 20 1 ALA 0.510000
16 O 1.5152 2.3404 -0.7788 70 1 ALA -0.510000
17 N 3.3467 1.7093 0.3114 54 2 ALA -0.470000
18 HN 3.8543 0.9857 0.7727 1 2 ALA 0.310000
19 CA 4.0628 2.9567 0.2992 22 2 ALA 0.070000
20 HA 3.7548 3.4645 -0.6028 6 2 ALA 0.090000
21 CB 3.6667 3.7718 1.5233 24 2 ALA -0.270000
22 HB1 2.5760 3.9830 1.5118 3 2 ALA 0.090000
23 HB2 3.8756 3.2897 2.5022 3 2 ALA 0.090000
24 HB3 4.1888 4.7524 1.5351 3 2 ALA 0.090000
25 C 5.5925 2.6836 0.3488 20 2 ALA 0.510000
26 O 6.0584 1.6747 0.8764 70 2 ALA -0.510000
27 N 6.4671 3.6261 -0.1407 54 3 ALA -0.470000
28 HN 6.0824 4.3167 -0.7482 1 3 ALA 0.310000
29 CA 7.8707 3.3525 -0.2328 22 3 ALA 0.070000
30 HA 8.2092 2.7882 0.6236 6 3 ALA 0.090000
31 CB 8.2477 2.6785 -1.5567 24 3 ALA -0.270000
32 HB1 7.6625 1.7360 -1.6165 3 3 ALA 0.090000
33 HB2 8.0452 3.2154 -2.5081 3 3 ALA 0.090000
34 HB3 9.2972 2.3147 -1.5365 3 3 ALA 0.090000
35 C 8.7146 4.6336 -0.2291 20 3 ALA 0.510000
36 O 9.9035 4.7151 -0.5356 70 3 ALA -0.510000
37 NT 8.1173 5.7863 0.1172 54 3 ALA -0.470000
38 HNT 7.1221 5.7779 0.1768 1 3 ALA 0.310000
39 CAT 8.7286 7.0937 0.2111 24 3 ALA -0.110000
40 HT1 9.8185 7.1358 -0.0004 3 3 ALA 0.090000
41 HT2 8.2162 7.8206 -0.4548 3 3 ALA 0.090000
42 HT3 8.6359 7.3924 1.2772 3 3 ALA 0.090000
@<TRIPOS>BOND
1 5 1 1
2 5 7 1
3 6 5 1
4 11 9 1
5 7 9 1
6 15 9 1
7 15 17 1
8 16 15 1
9 21 19 1
10 17 19 1
11 25 19 1
12 25 27 1
13 26 25 1
14 31 29 1
15 27 29 1
16 35 29 1
17 36 35 1
18 35 37 1
19 37 39 1
20 1 2 1
21 1 3 1
22 1 4 1
23 7 8 1
24 9 10 1
25 11 12 1
26 11 13 1
27 11 14 1
28 17 18 1
29 19 20 1
30 21 22 1
31 21 23 1
32 21 24 1
33 27 28 1
34 29 30 1
35 31 32 1
36 31 33 1
37 31 34 1
38 37 38 1
39 39 40 1
40 39 41 1
41 39 42 1
@<TRIPOS>SUBSTRUCTURE
1 ALA 1 **** 0 **** ****
2 ALA 17 **** 0 **** ****
3 ALA 27 **** 0 **** ****
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