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2024-09-26 19:11:16 +08:00
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# created with PyMOL 3.0.0
@<TRIPOS>MOLECULE
UNK1
35 35 1
SMALL
USER_CHARGES
@<TRIPOS>ATOM
1 N -5.390 2.121 -9.532 N.2 1 UNK1 0.000
2 N -10.664 3.190 -9.419 N.pl3 1 UNK1 0.000
3 N -13.495 1.939 -10.893 N.3 1 UNK1 0.000
4 C -7.068 3.662 -9.763 C.2 1 UNK1 0.000
5 C -6.613 2.369 -9.506 C.2 1 UNK1 0.000
6 C -7.525 1.353 -9.220 C.2 1 UNK1 0.000
7 C -8.891 1.630 -9.190 C.2 1 UNK1 0.000
8 C -9.347 2.923 -9.447 C.2 1 UNK1 0.000
9 C -8.435 3.939 -9.734 C.2 1 UNK1 0.000
10 C -11.408 3.089 -10.564 C.2 1 UNK1 0.000
11 C -12.066 1.780 -10.923 C.3 1 UNK1 0.000
12 C -11.633 1.360 -12.322 C.3 1 UNK1 0.000
13 C -10.441 0.417 -12.222 C.3 1 UNK1 0.000
14 C -9.212 1.086 -12.822 C.3 1 UNK1 0.000
15 C -10.744 -0.866 -12.985 C.3 1 UNK1 0.000
16 O -4.535 3.072 -9.817 O.2 1 UNK1 0.000
17 O -4.961 0.910 -9.274 O.2 1 UNK1 0.000
18 O -11.537 4.049 -11.287 O.2 1 UNK1 0.000
19 H01 -6.356 4.456 -9.987 H 1 UNK1 0.000
20 H02 -7.170 0.342 -9.020 H 1 UNK1 0.000
21 H03 -9.603 0.836 -8.966 H 1 UNK1 0.000
22 H04 -8.791 4.949 -9.936 H 1 UNK1 0.000
23 H05 -11.769 1.015 -10.205 H 1 UNK1 0.000
24 H06 -11.351 2.243 -12.896 H 1 UNK1 0.000
25 H07 -12.458 0.852 -12.822 H 1 UNK1 0.000
26 H08 -10.251 0.181 -11.175 H 1 UNK1 0.000
27 H09 -8.372 0.391 -12.797 H 1 UNK1 0.000
28 H10 -9.419 1.369 -13.854 H 1 UNK1 0.000
29 H11 -8.963 1.976 -12.244 H 1 UNK1 0.000
30 H12 -11.619 -0.714 -13.617 H 1 UNK1 0.000
31 H13 -9.889 -1.130 -13.607 H 1 UNK1 0.000
32 H14 -10.942 -1.672 -12.278 H 1 UNK1 0.000
33 H -11.107 3.466 -8.551 H 1 UNK1 0.000
34 H -13.775 2.330 -9.994 H 1 UNK1 0.000
35 H -13.774 2.642 -11.577 H 1 UNK1 0.000
@<TRIPOS>BOND
1 1 5 1
2 1 16 ar
3 1 17 ar
4 2 8 1
5 2 10 1
6 2 33 1
7 3 11 1
8 3 34 1
9 3 35 1
10 4 5 ar
11 4 9 ar
12 4 19 1
13 5 6 ar
14 6 7 ar
15 6 20 1
16 7 8 ar
17 7 21 1
18 8 9 ar
19 9 22 1
20 10 11 1
21 10 18 2
22 11 12 1
23 11 23 1
24 12 13 1
25 12 24 1
26 12 25 1
27 13 14 1
28 13 15 1
29 13 26 1
30 14 27 1
31 14 28 1
32 14 29 1
33 15 30 1
34 15 31 1
35 15 32 1
@<TRIPOS>SUBSTRUCTURE
1 UNK1 1 GROUP 1 L_Le UNK