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@<TRIPOS>MOLECULE
*****
18 18 0 0 0
SMALL
NO_CHARGES
@<TRIPOS>ATOM
1 C1 41.2490 44.5850 18.4770 C.ar 1 TMP1 0.0000
2 C2 41.7650 45.4480 19.4520 C.ar 1 TMP1 0.0000
3 C3 41.8040 44.5680 17.1930 C.ar 1 TMP1 0.0000
4 C4 40.0930 43.6730 18.8120 C.3 1 TMP1 0.0000
5 C5 42.8370 46.2930 19.1410 C.ar 1 TMP1 0.0000
6 C6 42.8760 45.4140 16.8820 C.ar 1 TMP1 0.0000
7 C7 43.3920 46.2760 17.8570 C.ar 1 TMP1 0.0000
8 C8 44.5480 47.1880 17.5220 C.3 1 TMP1 0.0000
9 H1 41.3440 45.4610 20.4260 H 1 TMP1 0.0000
10 H2 41.4130 43.9140 16.4530 H 1 TMP1 0.0000
11 H3 40.3170 42.6530 18.4650 H 1 TMP1 0.0000
12 H4 39.9380 43.6640 19.9020 H 1 TMP1 0.0000
13 H5 39.1820 44.0380 18.3140 H 1 TMP1 0.0000
14 H6 43.2290 46.9470 19.8810 H 1 TMP1 0.0000
15 H7 43.2970 45.4010 15.9080 H 1 TMP1 0.0000
16 H8 45.3340 46.6120 17.0120 H 1 TMP1 0.0000
17 H9 44.1990 47.9960 16.8610 H 1 TMP1 0.0000
18 H10 44.9540 47.6210 18.4480 H 1 TMP1 0.0000
@<TRIPOS>BOND
1 6 15 1
2 3 10 1 BACKBONE
3 8 17 1 DICT
4 3 6 ar INTERRES
5 6 7 ar BACKBONE|DICT|INTERRES
6 8 16 1 DICT|INTERRES|BACKBONE
7 1 3 ar INTERRES|BACKBONE|DICT|
8 7 8 1
9 8 18 1
10 5 7 ar
11 4 13 1
12 4 11 1
13 1 4 1
14 1 2 ar
15 4 12 1
16 2 5 ar
17 5 14 1
18 2 9 1
|
