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trp.mol2
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trp.mol2
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@<TRIPOS>MOLECULE
Molden generated mol2
27 28 1
SMALL
NO_CHARGES
****
****
@<TRIPOS>ATOM
1 N 0.0000 0.0000 0.0000 N.4 1 RES1 0.0000
2 C 0.0000 0.0000 1.4600 C.3 1 RES1 0.0000
3 C 1.4040 0.0000 2.0159 C.2 1 RES1 0.0000
4 O 1.8378 0.9626 2.6271 O.co2 1 RES1 0.0000
5 O 2.1614 -0.9471 1.8834 O.co2 1 RES1 0.0000
6 H 0.4239 -0.7647 -0.5253 H 1 RES1 0.0000
7 C -0.7754 -1.2077 1.9901 C.3 1 RES1 0.0000
8 C -2.2348 -1.1781 1.6537 C.2 1 RES1 0.0000
9 C -2.8432 -1.7804 0.5905 C.2 1 RES1 0.0000
10 N -4.1941 -1.5307 0.6129 N.pl3 1 RES1 0.0000
11 C -4.4802 -0.7512 1.7090 C.2 1 RES1 0.0000
12 C -3.2694 -0.5097 2.3877 C.2 1 RES1 0.0000
13 C -3.2895 0.2669 3.5488 C.2 1 RES1 0.0000
14 C -4.4998 0.7694 3.9877 C.2 1 RES1 0.0000
15 C -5.6934 0.5125 3.2904 C.2 1 RES1 0.0000
16 C -5.6996 -0.2460 2.1495 C.2 1 RES1 0.0000
17 H -0.5012 0.9209 1.7926 H 1 RES1 0.0000
18 H -0.3312 -2.1267 1.5800 H 1 RES1 0.0000
19 H -0.6599 -1.2559 3.0830 H 1 RES1 0.0000
20 H -2.3265 -2.3791 -0.1740 H 1 RES1 0.0000
21 H -4.8598 -1.8607 -0.0564 H 1 RES1 0.0000
22 H -2.3616 0.4740 4.1021 H 1 RES1 0.0000
23 H -4.5309 1.3825 4.9004 H 1 RES1 0.0000
24 H -6.6394 0.9281 3.6677 H 1 RES1 0.0000
25 H -6.6334 -0.4470 1.6040 H 1 RES1 0.0000
26 H -0.9705 0.0169 -0.3135 H 1 RES1 0.0000
27 H 0.4999 0.8320 -0.3135 H 1 RES1 0.0000
@<TRIPOS>BOND
1 1 2 1
2 1 6 1
3 1 26 1
4 1 27 1
5 2 3 1
6 2 7 1
7 2 17 1
8 3 4 2
9 3 5 2
10 7 8 1
11 7 18 1
12 7 19 1
13 8 9 2
14 8 12 1
15 9 10 1
16 9 20 1
17 10 11 1
18 10 21 1
19 11 12 1
20 11 16 1
21 12 13 1
22 13 14 1
23 13 22 1
24 14 15 1
25 14 23 1
26 15 16 1
27 15 24 1
28 16 25 1
@<TRIPOS>SUBSTRUCTURE
1 RES1 1