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Copy path291.mol2
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291.mol2
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@<TRIPOS>MOLECULE
291
39 39 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C1 28.0270 -13.4110 8.4700 c6 1 291 0.360300
2 C2 27.3610 -14.1380 9.6410 c6 1 291 0.118300
3 C3 27.5820 -13.3660 10.9380 c6 1 291 0.137300
4 C4 29.0690 -13.0640 11.1360 c6 1 291 0.123300
5 C5 29.5970 -12.3330 9.9050 c6 1 291 0.140300
6 C6 31.0950 -12.0410 9.9640 c3 1 291 0.160300
7 C7 31.5150 -11.2110 8.7540 c3 1 291 0.145600
8 O1 27.2750 -12.2730 8.2040 os 1 291 -0.481000
9 O2 27.9350 -15.4140 9.8150 oh 1 291 -0.717000
10 O3 27.0400 -14.0410 12.0480 oh 1 291 -0.654000
11 O4 29.2790 -12.2360 12.2540 oh 1 291 -0.716000
12 O5 29.3670 -13.1170 8.7450 os 1 291 -0.477000
13 O6 31.8730 -13.1980 10.1220 oh 1 291 -0.706000
14 O7 32.8730 -10.8120 8.8700 os 1 291 -0.459100
15 C8 33.8170 -11.5730 8.2980 c 1 291 0.650100
16 N1 35.0400 -11.0890 8.5730 nt 1 291 -0.599000
17 O8 33.5940 -12.5400 7.6010 o 1 291 -0.547000
18 C9 27.6420 -11.5760 7.0240 c3 1 291 0.198800
19 C10 26.4910 -10.7250 6.6000 c2 1 291 -0.227200
20 C11 26.5760 -9.4180 6.3890 c2 1 291 -0.296000
21 H1 28.0590 -14.0670 7.5880 h2 1 291 0.068700
22 H2 26.2850 -14.2130 9.4410 h1 1 291 0.065700
23 H3 27.0460 -12.4130 10.8700 h1 1 291 0.098700
24 H4 29.6140 -14.0130 11.2420 h1 1 291 0.067700
25 H5 29.0750 -11.3670 9.8300 h1 1 291 0.060700
26 H6 31.2700 -11.4360 10.8570 h1 1 291 0.099700
27 H71 31.3420 -11.7430 7.8170 h1 1 291 0.068700
28 H72 30.9310 -10.2900 8.7290 h1 1 291 0.068700
29 HO2 27.5490 -16.0230 9.1780 ho 1 291 0.513000
30 HO3 27.3610 -14.9500 12.0230 ho 1 291 0.456000
31 HO4 28.9000 -12.6750 13.0230 ho 1 291 0.520000
32 HO6 31.7740 -13.7510 9.3390 ho 1 291 0.521000
33 HN1 35.1790 -10.3410 9.2300 hn 1 291 0.327500
34 HN1A 35.8500 -11.5990 8.2660 hn 1 291 0.327500
35 H9 28.5330 -10.9590 7.1840 h1 1 291 0.036700
36 H9A 27.8800 -12.2940 6.2270 h1 1 291 0.036700
37 H10 25.5490 -11.2400 6.4340 ha 1 291 0.178000
38 H11 25.7260 -8.8420 6.0480 ha 1 291 0.165500
39 H11A 27.5010 -8.8750 6.5450 ha 1 291 0.165500
@<TRIPOS>BOND
1 1 2 1
2 1 8 1
3 1 12 1
4 1 21 1
5 2 3 1
6 2 9 1
7 2 22 1
8 3 4 1
9 3 10 1
10 3 23 1
11 4 5 1
12 4 11 1
13 4 24 1
14 5 6 1
15 5 12 1
16 5 25 1
17 6 7 1
18 6 13 1
19 6 26 1
20 7 14 1
21 7 27 1
22 7 28 1
23 8 18 1
24 9 29 1
25 10 30 1
26 11 31 1
27 13 32 1
28 14 15 1
29 15 16 1
30 15 17 2
31 16 33 1
32 16 34 1
33 18 19 1
34 18 35 1
35 18 36 1
36 19 20 2
37 19 37 1
38 20 38 1
39 20 39 1
@<TRIPOS>SUBSTRUCTURE
1 291 1 TEMP 0 **** **** 0 ROOT