|
# created with PyMOL 2.4.1 |
|
@<TRIPOS>MOLECULE |
|
1a5s_FIP_A_1 |
|
18 19 1 |
|
SMALL |
|
USER_CHARGES |
|
@<TRIPOS>ATOM |
|
1 P 48.689 29.579 10.041 P.3 1 FIP270 0.000 |
|
2 C1P 48.677 28.727 12.574 C.3 1 FIP270 0.000 |
|
3 C2P 47.995 27.685 13.448 C.3 1 FIP270 0.000 |
|
4 C3P 48.437 27.819 14.888 C.3 1 FIP270 0.000 |
|
5 N1 52.099 27.604 15.315 N.pl3 1 FIP270 0.000 |
|
6 C2 50.923 28.309 15.216 C.2 1 FIP270 0.000 |
|
7 C3 49.877 27.454 15.037 C.2 1 FIP270 0.000 |
|
8 C4 49.897 24.851 14.839 C.2 1 FIP270 0.000 |
|
9 C5 50.753 23.761 14.873 C.2 1 FIP270 0.000 |
|
10 C6 52.132 23.932 15.051 C.2 1 FIP270 0.000 |
|
11 C7 52.687 25.171 15.200 C.2 1 FIP270 0.000 |
|
12 C8 51.828 26.268 15.182 C.2 1 FIP270 0.000 |
|
13 C9 50.438 26.134 15.001 C.2 1 FIP270 0.000 |
|
14 OP1 49.905 30.296 10.502 O.co2 1 FIP270 0.000 |
|
15 OP2 47.507 30.481 9.923 O.co2 1 FIP270 0.000 |
|
16 OP3 48.840 28.561 8.953 O.co2 1 FIP270 0.000 |
|
17 OP4 48.278 28.536 11.234 O.3 1 FIP270 0.000 |
|
18 F 50.253 22.538 14.745 F 1 FIP270 0.000 |
|
@<TRIPOS>BOND |
|
1 1 14 1 |
|
2 1 15 1 |
|
3 1 16 2 |
|
4 1 17 1 |
|
5 2 17 1 |
|
6 2 3 1 |
|
7 3 4 1 |
|
8 5 6 ar |
|
9 4 7 1 |
|
10 6 7 ar |
|
11 7 13 ar |
|
12 8 9 ar |
|
13 9 10 ar |
|
14 9 18 1 |
|
15 10 11 ar |
|
16 5 12 ar |
|
17 11 12 ar |
|
18 8 13 ar |
|
19 12 13 ar |
|
@<TRIPOS>SUBSTRUCTURE |
|
1 FIP270 1 GROUP 1 A FIP |
|
|