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X60.mol2
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@<TRIPOS>MOLECULE
X60
24 23 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 N 1.1630 -1.8460 -1.2120 n8 1 X60 -0.984200
2 CA 0.3800 -2.8350 -0.4560 c3 1 X60 0.040200
3 C -0.4240 -3.6170 -1.5440 c 1 X60 0.733000
4 O -1.6570 -3.4550 -1.6100 o 1 X60 -0.730000
5 CB1 -0.5250 -2.0490 0.4960 c3 1 X60 -0.034400
6 CB2 1.2780 -3.8280 0.3090 c3 1 X60 -0.096400
7 CG1 -1.3390 -2.8670 1.4900 c3 1 X60 -0.070400
8 CG2 2.1550 -3.2160 1.3950 c3 1 X60 -0.087100
9 CD1 -2.2950 -1.9970 2.2960 c3 1 X60 -0.082100
10 OXT 0.2640 -4.3370 -2.3000 o 1 X60 -0.730000
11 H 1.7660 -1.3300 -0.5800 hn 1 X60 0.371500
12 H2 1.7810 -2.3370 -1.8480 hn 1 X60 0.371500
13 HB12 0.0950 -1.3410 1.0630 hc 1 X60 0.024200
14 HB11 -1.2030 -1.4340 -0.1010 hc 1 X60 0.024200
15 HB22 0.6620 -4.6170 0.7530 hc 1 X60 0.044700
16 HB21 1.9170 -4.3300 -0.4200 hc 1 X60 0.044700
17 HG12 -1.9060 -3.6340 0.9590 hc 1 X60 0.041700
18 HG11 -0.6750 -3.3950 2.1800 hc 1 X60 0.041700
19 HG23 2.8100 -3.9740 1.8290 hc 1 X60 0.011367
20 HG22 2.8000 -2.4290 1.0020 hc 1 X60 0.011367
21 HG21 1.5720 -2.7880 2.2120 hc 1 X60 0.011367
22 HD13 -2.8650 -2.5860 3.0170 hc 1 X60 0.014367
23 HD12 -1.7580 -1.2270 2.8530 hc 1 X60 0.014367
24 HD11 -3.0100 -1.4910 1.6450 hc 1 X60 0.014367
@<TRIPOS>BOND
1 1 2 1
2 1 11 1
3 1 12 1
4 2 3 1
5 2 5 1
6 2 6 1
7 3 4 1
8 3 10 1
9 5 7 1
10 5 13 1
11 5 14 1
12 6 8 1
13 6 15 1
14 6 16 1
15 7 9 1
16 7 17 1
17 7 18 1
18 8 19 1
19 8 20 1
20 8 21 1
21 9 22 1
22 9 23 1
23 9 24 1
@<TRIPOS>SUBSTRUCTURE
1 X60 1 TEMP 0 **** **** 0 ROOT