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Copy path1KPF_AMP.mol2
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1KPF_AMP.mol2
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@<TRIPOS>MOLECULE
*****
35 37 0 0 0
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 P1 13.3010 8.7680 10.5910 P.3 1 <0> 1.3712
2 O1 14.4420 9.0450 9.7030 O.2 1 <0> -1.0333
3 O2 13.3220 7.3880 11.1670 O.3 1 <0> -1.0333
4 O3 11.9560 9.1760 10.0120 O.3 1 <0> -1.0333
5 O4 13.5830 9.7760 11.8450 O.3 1 <0> -0.5512
6 C1 12.6470 9.8190 12.9640 C.3 1 <0> 0.2800
7 C2 11.7550 11.0530 12.7000 C.3 1 <0> 0.2800
8 O5 10.7670 11.1650 13.7880 O.3 1 <0> -0.5600
9 C3 12.6700 12.4610 12.6860 C.3 1 <0> 0.2800
10 O6 12.1150 13.2920 11.5540 O.3 1 <0> -0.6800
11 C4 12.3000 13.0480 14.1470 C.3 1 <0> 0.2800
12 O7 12.1240 14.4480 14.1570 O.3 1 <0> -0.6800
13 C5 10.8060 12.4580 14.3970 C.3 1 <0> 0.5356
14 N1 10.5530 12.2850 15.8410 N.pl3 1 <0> 0.0476
15 C6 11.3730 11.6590 16.7880 C.2 1 <0> 0.0365
16 N2 10.9320 11.6420 18.0630 N.2 1 <0> -0.5653
17 C7 9.7310 12.3380 17.8890 C.ar 1 <0> 0.2272
18 C8 8.7060 12.6060 18.8050 C.ar 1 <0> 0.4100
19 N3 8.9030 12.3110 20.1410 N.pl3 1 <0> -0.9000
20 N4 7.5690 13.1660 18.2640 N.ar 1 <0> -0.6200
21 C9 7.4550 13.4810 16.9720 C.ar 1 <0> 0.4700
22 N5 8.3890 13.2990 16.0380 N.ar 1 <0> -0.5670
23 C10 9.4820 12.7210 16.5500 C.ar 1 <0> 0.1054
24 H1 12.0436 8.9003 13.0066 H 1 <0> 0.0000
25 H2 13.1678 9.8901 13.9303 H 1 <0> 0.0000
26 H3 11.2650 10.9273 11.7232 H 1 <0> 0.0000
27 H4 13.7568 12.3898 12.5318 H 1 <0> 0.0000
28 H5 11.9984 14.1884 11.8462 H 1 <0> 0.4000
29 H6 13.0904 12.7897 14.8671 H 1 <0> 0.0000
30 H7 12.0844 14.7562 15.0547 H 1 <0> 0.4000
31 H8 10.0544 13.1452 13.9812 H 1 <0> 0.0000
32 H9 12.3154 11.2103 16.5104 H 1 <0> 0.1500
33 H10 8.9506 11.3193 20.2604 H 1 <0> 0.4000
34 H11 9.7587 12.7253 20.4510 H 1 <0> 0.4000
35 H12 6.5222 13.9231 16.6545 H 1 <0> 0.1500
@<TRIPOS>BOND
1 1 2 2
2 1 4 1
3 1 3 1
4 1 5 1
5 9 10 1
6 5 6 1
7 7 9 1
8 9 11 1
9 6 7 1
10 7 8 1
11 8 13 1
12 11 12 1
13 11 13 1
14 13 14 1
15 14 23 1
16 14 15 1
17 22 23 ar
18 21 22 ar
19 17 23 ar
20 15 16 2
21 20 21 ar
22 16 17 1
23 17 18 ar
24 18 20 ar
25 18 19 1
26 6 24 1
27 6 25 1
28 7 26 1
29 9 27 1
30 10 28 1
31 11 29 1
32 12 30 1
33 13 31 1
34 15 32 1
35 19 33 1
36 19 34 1
37 21 35 1