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26Y.mol2
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@<TRIPOS>MOLECULE
26Y
50 51 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C14 8.4390 1.0250 0.3280 c3 1 26Y -0.084600
2 C13 7.6790 0.2220 -0.7290 c3 1 26Y -0.019400
3 C15 8.3460 -1.1310 -0.9770 c3 1 26Y -0.084600
4 C10 6.2250 0.0670 -0.3550 ca 1 26Y -0.055300
5 C9 5.8400 -0.6210 0.7940 ca 1 26Y -0.113500
6 C8 4.5050 -0.7360 1.1400 ca 1 26Y -0.083500
7 C11 5.2220 0.6250 -1.1480 ca 1 26Y -0.113500
8 C12 3.8860 0.5110 -0.8090 ca 1 26Y -0.083500
9 C7 3.5000 -0.1720 0.3470 ca 1 26Y -0.083800
10 C6 2.1130 -0.3100 0.7740 ce 1 26Y -0.065200
11 C4 1.0260 0.1410 0.1380 cf 1 26Y -0.308200
12 C2 -0.3210 -0.0550 0.7130 c 1 26Y 0.616300
13 O3 -0.5200 -0.5840 1.7960 o 1 26Y -0.583100
14 N1 -1.3250 0.4300 -0.0640 ns 1 26Y -0.505900
15 C1 -2.7040 0.3310 0.2770 c6 1 26Y 0.303700
16 O5 -3.2330 -0.8390 -0.3040 os 1 26Y -0.458000
17 C5 -4.5750 -1.0830 0.0590 c6 1 26Y 0.178300
18 C16 -4.9780 -2.4250 -0.5160 c3 1 26Y 0.172600
19 O6 -4.1900 -3.4270 0.0800 oh 1 26Y -0.706000
20 C17 -5.4610 0.0510 -0.4590 c6 1 26Y 0.143300
21 O4 -6.7800 -0.1950 -0.0410 oh 1 26Y -0.715000
22 C3 -4.9490 1.3820 0.0800 c6 1 26Y 0.139300
23 O1 -5.7310 2.4010 -0.4940 oh 1 26Y -0.667000
24 C18 -3.4680 1.5570 -0.2290 c6 1 26Y 0.097300
25 O2 -3.0380 2.7320 0.4080 oh 1 26Y -0.716000
26 H1 8.4840 0.4930 1.2800 hc 1 26Y 0.036033
27 H2 9.4640 1.2080 0.0030 hc 1 26Y 0.036033
28 H3 7.9680 1.9920 0.5080 hc 1 26Y 0.036033
29 H4 7.7150 0.7890 -1.6640 hc 1 26Y 0.049700
30 H5 8.3320 -1.7550 -0.0820 hc 1 26Y 0.036033
31 H6 7.8450 -1.6810 -1.7750 hc 1 26Y 0.036033
32 H7 9.3890 -0.9960 -1.2680 hc 1 26Y 0.036033
33 H8 6.5890 -1.0730 1.4340 ha 1 26Y 0.114000
34 H9 4.2310 -1.2700 2.0420 ha 1 26Y 0.114000
35 H10 5.4960 1.1640 -2.0480 ha 1 26Y 0.114000
36 H11 3.1440 0.9650 -1.4540 ha 1 26Y 0.114000
37 H12 1.9660 -0.8340 1.7130 ha 1 26Y 0.198000
38 H13 1.0970 0.6670 -0.8070 ha 1 26Y 0.175000
39 H14 -1.0920 0.7690 -0.9860 hn 1 26Y 0.309500
40 H15 -2.7880 0.2820 1.3700 h2 1 26Y 0.087700
41 H16 -4.6680 -1.1250 1.1570 h1 1 26Y 0.066700
42 H17 -6.0440 -2.5760 -0.3210 h1 1 26Y 0.034200
43 H18 -4.8490 -2.3980 -1.6070 h1 1 26Y 0.034200
44 H19 -4.4990 -4.2790 -0.2420 ho 1 26Y 0.502000
45 H20 -5.3900 0.0690 -1.5580 h1 1 26Y 0.051700
46 H21 -7.3380 0.5170 -0.3720 ho 1 26Y 0.524000
47 H22 -5.0670 1.3690 1.1760 h1 1 26Y 0.058700
48 H23 -5.5340 3.2290 -0.0450 ho 1 26Y 0.465000
49 H24 -3.3410 1.6210 -1.3210 h1 1 26Y 0.049700
50 H25 -2.1740 2.9770 0.0640 ho 1 26Y 0.515000
@<TRIPOS>BOND
1 1 2 1
2 1 26 1
3 1 27 1
4 1 28 1
5 2 3 1
6 2 4 1
7 2 29 1
8 3 30 1
9 3 31 1
10 3 32 1
11 4 5 ar
12 4 7 ar
13 5 6 ar
14 5 33 1
15 6 9 ar
16 6 34 1
17 7 8 ar
18 7 35 1
19 8 9 ar
20 8 36 1
21 9 10 1
22 10 11 2
23 10 37 1
24 11 12 1
25 11 38 1
26 12 13 2
27 12 14 1
28 14 15 1
29 14 39 1
30 15 16 1
31 15 24 1
32 15 40 1
33 16 17 1
34 17 18 1
35 17 20 1
36 17 41 1
37 18 19 1
38 18 42 1
39 18 43 1
40 19 44 1
41 20 21 1
42 20 22 1
43 20 45 1
44 21 46 1
45 22 23 1
46 22 24 1
47 22 47 1
48 23 48 1
49 24 25 1
50 24 49 1
51 25 50 1
@<TRIPOS>SUBSTRUCTURE
1 26Y 1 TEMP 0 **** **** 0 ROOT