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Copy path293.mol2
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293.mol2
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@<TRIPOS>MOLECULE
293
27 27 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C1 27.6890 -17.3840 10.5390 c6 1 293 0.396300
2 C2 26.4100 -17.6450 9.7550 c6 1 293 -0.188400
3 C3 26.0310 -16.4870 8.8330 c6 1 293 0.167300
4 C4 26.0060 -15.1930 9.6400 c6 1 293 0.116300
5 C5 27.3540 -15.0270 10.3580 c6 1 293 0.103300
6 C6 27.4280 -13.7820 11.2370 c3 1 293 0.132300
7 C7 28.8190 -13.5960 11.8370 c3 1 293 0.132600
8 O1 28.8490 -17.5080 9.7760 oh 1 293 -0.663000
9 O3 24.8230 -16.7360 8.1570 oh 1 293 -0.630000
10 O4 25.7700 -14.1170 8.7660 oh 1 293 -0.703000
11 O5 27.6170 -16.1400 11.1910 os 1 293 -0.483000
12 O6 26.4330 -13.7640 12.2390 oh 1 293 -0.725000
13 O7 28.9460 -12.3690 12.5150 oh 1 293 -0.651000
14 H1 27.7830 -18.1110 11.3480 h2 1 293 0.105700
15 H2 26.5050 -18.5730 9.1860 hc 1 293 0.069200
16 H2A 25.6000 -17.7970 10.4770 hc 1 293 0.069200
17 H3 26.7800 -16.3760 8.0390 h1 1 293 0.082700
18 H4 25.2100 -15.2800 10.3960 h1 1 293 0.048700
19 H5 28.1340 -14.9180 9.5870 h1 1 293 0.057700
20 H6 27.2290 -12.9140 10.6000 h1 1 293 0.087700
21 H71 29.0600 -14.4430 12.4930 h1 1 293 0.054700
22 H72 29.5580 -13.5920 11.0330 h1 1 293 0.054700
23 HO1 28.7060 -17.1980 8.8750 ho 1 293 0.450000
24 HO3 24.1340 -16.9000 8.8110 ho 1 293 0.439000
25 HO4 25.3490 -13.4030 9.2530 ho 1 293 0.515000
26 HO6 26.5250 -14.5620 12.7730 ho 1 293 0.514000
27 HO7 28.3090 -12.3640 13.2370 ho 1 293 0.448000
@<TRIPOS>BOND
1 1 2 1
2 1 8 1
3 1 11 1
4 1 14 1
5 2 3 1
6 2 15 1
7 2 16 1
8 3 4 1
9 3 9 1
10 3 17 1
11 4 5 1
12 4 10 1
13 4 18 1
14 5 6 1
15 5 11 1
16 5 19 1
17 6 7 1
18 6 12 1
19 6 20 1
20 7 13 1
21 7 21 1
22 7 22 1
23 8 23 1
24 9 24 1
25 10 25 1
26 12 26 1
27 13 27 1
@<TRIPOS>SUBSTRUCTURE
1 293 1 TEMP 0 **** **** 0 ROOT