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27C.mol2
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@<TRIPOS>MOLECULE
27C
35 35 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 O1 -5.5450 9.6560 52.1720 oh 1 27C -0.671000
2 P -6.5300 9.7910 57.7190 p5 1 27C 1.391800
3 C1 -6.5470 8.7770 52.5690 c5 1 27C 0.351300
4 C2 -7.8750 9.3980 52.1590 c5 1 27C 0.165300
5 F2 -8.8350 8.3940 52.1330 f 1 27C -0.263000
6 C3 -8.1830 10.3550 53.3050 c5 1 27C 0.118300
7 O3 -7.8250 11.6540 52.9130 oh 1 27C -0.714000
8 C4 -7.3270 9.7990 54.4710 c5 1 27C 0.090300
9 O4 -6.6500 8.6570 53.9570 os 1 27C -0.446000
10 C5 -8.1760 9.3960 55.6590 c3 1 27C 0.232600
11 O5 -7.4490 8.8380 56.7310 os 1 27C -0.583400
12 C1C -4.2610 8.8460 56.7110 c3 1 27C 0.230600
13 C2C -3.1760 9.2020 55.7140 c3 1 27C -0.073400
14 C3C -2.3000 10.3770 56.1330 c3 1 27C -0.072400
15 C4C -1.1870 10.6580 55.1320 c3 1 27C -0.087100
16 OP1 -6.2810 8.9640 58.9390 o 1 27C -0.816000
17 OP2 -7.1120 11.1670 57.7740 o 1 27C -0.816000
18 OP3 -5.1400 9.9470 56.8610 os 1 27C -0.608400
19 HO1 -4.6870 9.2640 52.3720 ho 1 27C 0.454000
20 H1 -6.3970 7.7710 52.1640 h2 1 27C 0.066700
21 H2 -7.8550 9.8830 51.1820 h1 1 27C 0.084700
22 H3 -9.2530 10.2950 53.5450 h1 1 27C 0.051700
23 HO3 -8.0050 12.2540 53.6440 ho 1 27C 0.519000
24 H4 -6.6020 10.5640 54.7670 h1 1 27C 0.090700
25 H51 -8.7440 10.2750 55.9800 h1 1 27C 0.032700
26 H52 -8.9010 8.6410 55.3390 h1 1 27C 0.032700
27 H1C -3.8060 8.5860 57.6740 h1 1 27C 0.021700
28 H1CA -4.7980 7.9590 56.3580 h1 1 27C 0.021700
29 H2C -2.5490 8.3140 55.5800 hc 1 27C 0.021200
30 H2CA -3.6290 9.4030 54.7370 hc 1 27C 0.021200
31 H3C -2.9140 11.2720 56.2530 hc 1 27C 0.048700
32 H3CA -1.8660 10.1680 57.1150 hc 1 27C 0.048700
33 H4C -0.5710 11.5000 55.4470 hc 1 27C 0.018033
34 H4CA -0.5320 9.7930 55.0160 hc 1 27C 0.018033
35 H4CB -1.5930 10.8970 54.1470 hc 1 27C 0.018033
@<TRIPOS>BOND
1 1 3 1
2 1 19 1
3 2 11 1
4 2 16 1
5 2 17 1
6 2 18 1
7 3 4 1
8 3 9 1
9 3 20 1
10 4 5 1
11 4 6 1
12 4 21 1
13 6 7 1
14 6 8 1
15 6 22 1
16 7 23 1
17 8 9 1
18 8 10 1
19 8 24 1
20 10 11 1
21 10 25 1
22 10 26 1
23 12 13 1
24 12 18 1
25 12 27 1
26 12 28 1
27 13 14 1
28 13 29 1
29 13 30 1
30 14 15 1
31 14 31 1
32 14 32 1
33 15 33 1
34 15 34 1
35 15 35 1
@<TRIPOS>SUBSTRUCTURE
1 27C 1 TEMP 0 **** **** 0 ROOT