phjiang's picture
train upload 1
71cf5b6 verified
raw
history blame
1.86 kB
# created with PyMOL 2.4.1
@<TRIPOS>MOLECULE
1a4q_DPC_A_1
28 29 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 CG -6.013 58.301 -13.730 C.2 1 DPC466 0.000
2 CD1 -5.586 59.639 -13.884 C.2 1 DPC466 0.000
3 CD2 -7.038 57.816 -14.555 C.2 1 DPC466 0.000
4 CE1 -6.202 60.485 -14.823 C.2 1 DPC466 0.000
5 CE2 -7.651 58.656 -15.490 C.2 1 DPC466 0.000
6 NE -0.014 55.459 -8.430 N.3 1 DPC466 0.000
7 CZ -7.249 59.992 -15.623 C.2 1 DPC466 0.000
8 C1 -2.416 58.309 -5.464 C.2 1 DPC466 0.000
9 O1A -3.371 59.064 -5.323 O.co2 1 DPC466 0.000
10 O1B -1.599 58.189 -4.561 O.co2 1 DPC466 0.000
11 C2 -2.344 57.469 -6.673 C.3 1 DPC466 0.000
12 C3 -1.412 56.518 -6.796 C.3 1 DPC466 0.000
13 C4 -1.379 55.627 -8.008 C.3 1 DPC466 0.000
14 C5 -2.212 56.191 -9.156 C.3 1 DPC466 0.000
15 N5 -2.499 55.126 -10.110 N.pl3 1 DPC466 0.000
16 C6 -3.528 56.729 -8.599 C.3 1 DPC466 0.000
17 O6 -3.293 57.671 -7.587 O.3 1 DPC466 0.000
18 C7 -4.255 57.505 -9.674 C.2 1 DPC466 0.000
19 O7 -3.743 58.263 -9.997 O.2 1 DPC466 0.000
20 N8 -5.380 57.030 -10.191 N.pl3 1 DPC466 0.000
21 C9 -6.081 55.852 -9.685 C.3 1 DPC466 0.000
22 C10 -2.137 55.141 -11.402 C.2 1 DPC466 0.000
23 O10 -1.563 56.100 -11.889 O.2 1 DPC466 0.000
24 C11 -2.443 53.871 -12.217 C.3 1 DPC466 0.000
25 C81 -5.971 57.810 -11.301 C.3 1 DPC466 0.000
26 C82 -5.395 57.417 -12.665 C.3 1 DPC466 0.000
27 C91 -6.962 56.171 -8.465 C.3 1 DPC466 0.000
28 C92 -7.837 57.431 -8.602 C.3 1 DPC466 0.000
@<TRIPOS>BOND
1 1 2 ar
2 1 3 ar
3 2 4 ar
4 3 5 ar
5 4 7 ar
6 5 7 ar
7 8 9 ar
8 8 10 ar
9 8 11 1
10 11 12 1
11 11 17 1
12 12 13 1
13 6 13 1
14 13 14 1
15 14 15 1
16 14 16 1
17 15 22 1
18 16 17 1
19 16 18 1
20 18 19 2
21 18 20 1
22 20 21 1
23 20 25 1
24 21 27 1
25 22 23 2
26 22 24 1
27 25 26 1
28 1 26 1
29 27 28 1
@<TRIPOS>SUBSTRUCTURE
1 DPC466 1 GROUP 1 A DPC