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XIL.mol2
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@<TRIPOS>MOLECULE
XIL
35 36 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C1 0.0430 0.0810 0.8400 c6 1 XIL 0.350300
2 C2 -0.8060 -0.5270 1.9600 c6 1 XIL 0.152300
3 O2 -2.1710 -0.3080 1.7230 oh 1 XIL -0.701000
4 C3 -0.4340 0.1280 3.2800 c6 1 XIL 0.182300
5 O3 -1.1470 -0.5080 4.3090 oh 1 XIL -0.639000
6 C4 1.0740 0.0370 3.4890 c6 1 XIL 0.090300
7 O4 1.3820 0.7670 4.6540 oh 1 XIL -0.722000
8 C5 1.8020 0.6030 2.2730 c6 1 XIL 0.133600
9 O5 1.4110 -0.0790 1.1000 os 1 XIL -0.457000
10 N1 -0.4760 0.9830 -4.1730 ns 1 XIL -0.498900
11 C7 0.1720 -0.1750 -4.0210 c 1 XIL 0.526000
12 C8 0.1170 -0.8530 -2.6500 c6 1 XIL 0.103300
13 O1 0.7600 -0.7430 -4.9340 o 1 XIL -0.572000
14 O6 1.2660 -1.6200 -2.4490 oh 1 XIL -0.691000
15 C9 -0.0580 0.1490 -1.5260 c6 1 XIL 0.177300
16 O7 -0.2550 -0.5870 -0.3310 os 1 XIL -0.432000
17 C10 -1.2590 1.0220 -1.8500 c6 1 XIL -0.130400
18 C6 -0.9920 1.8250 -3.1080 c6 1 XIL 0.114000
19 H1 -0.1950 1.1580 0.7590 h2 1 XIL 0.027700
20 H2 -0.5710 -1.6010 2.0190 h1 1 XIL 0.069700
21 HO2 -2.4150 -0.7760 0.9180 ho 1 XIL 0.516000
22 H3 -0.7020 1.1960 3.2170 h1 1 XIL 0.049700
23 HO3 -0.9050 -0.0860 5.1400 ho 1 XIL 0.458000
24 H4 1.3450 -1.0220 3.6020 h1 1 XIL 0.060700
25 HO4 2.2490 0.4950 4.9690 ho 1 XIL 0.513000
26 H51 1.6000 1.6810 2.1900 h1 1 XIL 0.056200
27 H52 2.8810 0.4750 2.3750 h1 1 XIL 0.056200
28 H7 -0.7880 -1.4850 -2.6730 h1 1 XIL 0.062700
29 HO 1.5260 -1.9710 -3.3110 ho 1 XIL 0.531000
30 H8 0.8460 0.7680 -1.4520 h1 1 XIL 0.067700
31 H5'1 -2.1450 0.3930 -1.9760 hc 1 XIL 0.065700
32 H5'2 -1.4670 1.7190 -1.0360 hc 1 XIL 0.065700
33 H6'1 -1.9100 2.2980 -3.4550 h1 1 XIL 0.046700
34 H6'2 -0.2760 2.6240 -2.8950 h1 1 XIL 0.046700
35 HN -0.4410 1.3910 -5.0970 hn 1 XIL 0.320500
@<TRIPOS>BOND
1 1 2 1
2 1 9 1
3 1 16 1
4 1 19 1
5 2 3 1
6 2 4 1
7 2 20 1
8 3 21 1
9 4 5 1
10 4 6 1
11 4 22 1
12 5 23 1
13 6 7 1
14 6 8 1
15 6 24 1
16 7 25 1
17 8 9 1
18 8 26 1
19 8 27 1
20 10 11 1
21 10 18 1
22 10 35 1
23 11 12 1
24 11 13 2
25 12 14 1
26 12 15 1
27 12 28 1
28 14 29 1
29 15 16 1
30 15 17 1
31 15 30 1
32 17 18 1
33 17 31 1
34 17 32 1
35 18 33 1
36 18 34 1
@<TRIPOS>SUBSTRUCTURE
1 XIL 1 TEMP 0 **** **** 0 ROOT