1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 31 32 33 34 35 36 37 38 39 40 41 42 43 44 45 46 47 48 49 50 51 52 53 54 55 56 57 58 59 60 61 62 63 64 65 66 67 68 69 70 71 72 73 74 75 76 77 78 79 80
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@<TRIPOS>MOLECULE
Cpptraj Generated mol2 file.
30 30 10 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 O 14.3822 17.1122 13.1338 OW 1 WAT -0.834000
2 H1 14.2079 16.9639 14.0633 HW 1 WAT 0.417000
3 H2 15.1789 17.6427 13.1213 HW 1 WAT 0.417000
4 O 21.4610 15.7159 16.3128 OW 2 WAT -0.834000
5 H1 20.6360 15.6685 16.7960 HW 2 WAT 0.417000
6 H2 21.2394 16.1805 15.5057 HW 2 WAT 0.417000
7 O 19.8630 20.4358 12.6372 OW 3 WAT -0.834000
8 H1 19.4939 19.6794 13.0930 HW 3 WAT 0.417000
9 H2 20.2138 20.9886 13.3355 HW 3 WAT 0.417000
10 O 16.1764 16.0935 11.5026 OW 4 WAT -0.834000
11 H1 15.4753 16.3949 12.0804 HW 4 WAT 0.417000
12 H2 15.7334 15.8741 10.6829 HW 4 WAT 0.417000
13 O 17.7766 18.3301 10.1433 OW 5 WAT -0.834000
14 H1 16.9477 17.9691 10.4575 HW 5 WAT 0.417000
15 H2 18.4335 17.9815 10.7461 HW 5 WAT 0.417000
16 O 20.9634 17.3254 13.9742 OW 6 WAT -0.834000
17 H1 20.0941 17.7261 13.9763 HW 6 WAT 0.417000
18 H2 21.3873 17.6769 13.1913 HW 6 WAT 0.417000
19 O 14.4387 19.7520 15.4388 OW 7 WAT -0.834000
20 H1 13.7357 19.1025 15.4520 HW 7 WAT 0.417000
21 H2 15.1569 19.3183 14.9779 HW 7 WAT 0.417000
22 O 12.8753 15.3731 17.6226 OW 8 WAT -0.834000
23 H1 13.4735 15.9358 18.1143 HW 8 WAT 0.417000
24 H2 12.0641 15.8780 17.5654 HW 8 WAT 0.417000
25 O 22.8328 13.8156 17.6101 OW 9 WAT -0.834000
26 H1 23.2364 13.2674 16.9371 HW 9 WAT 0.417000
27 H2 22.1015 14.2429 17.1641 HW 9 WAT 0.417000
28 O 14.5707 13.4193 16.9778 OW 10 WAT -0.834000
29 H1 14.5113 12.7413 17.6509 HW 10 WAT 0.417000
30 H2 13.9448 14.0881 17.2556 HW 10 WAT 0.417000
@<TRIPOS>BOND
1 2 1 1
2 3 1 1
3 3 2 1
4 5 4 1
5 6 4 1
6 6 5 1
7 8 7 1
8 9 7 1
9 9 8 1
10 11 10 1
11 12 10 1
12 12 11 1
13 14 13 1
14 15 13 1
15 15 14 1
16 17 16 1
17 18 16 1
18 18 17 1
19 20 19 1
20 21 19 1
21 21 20 1
22 23 22 1
23 24 22 1
24 24 23 1
25 26 25 1
26 27 25 1
27 27 26 1
28 29 28 1
29 30 28 1
30 30 29 1
@<TRIPOS>SUBSTRUCTURE
1 WAT 1 **** 0 **** ****
2 WAT 4 **** 0 **** ****
3 WAT 7 **** 0 **** ****
4 WAT 10 **** 0 **** ****
5 WAT 13 **** 0 **** ****
6 WAT 16 **** 0 **** ****
7 WAT 19 **** 0 **** ****
8 WAT 22 **** 0 **** ****
9 WAT 25 **** 0 **** ****
10 WAT 28 **** 0 **** ****
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