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28G.mol2
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@<TRIPOS>MOLECULE
28G
55 58 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C1 -9.4810 1.4040 -1.5300 c2 1 28G -0.299000
2 C2 -8.3350 1.4180 -0.8610 c2 1 28G -0.255200
3 C3 -8.0710 0.5850 0.3580 c3 1 28G 0.145200
4 C8 -3.3870 -0.7130 0.3280 cc 1 28G 0.444800
5 C10 -1.2680 -1.2440 0.3180 ca 1 28G 0.040400
6 C11 -0.0910 -1.9620 0.1210 ca 1 28G -0.001000
7 C12 1.1180 -1.3860 0.4690 cp 1 28G -0.098000
8 C13 1.0880 -0.0850 1.0340 ca 1 28G 0.604300
9 C15 -1.1480 0.0330 0.8580 ca 1 28G 0.363300
10 O17 2.2560 0.4240 1.4070 os 1 28G -0.450300
11 C19 3.8540 2.1460 1.5790 c3 1 28G 0.167800
12 C21 4.1190 2.9830 -0.6770 c6 1 28G 0.133300
13 C22 4.5920 2.5860 -2.0620 c6 1 28G 0.151600
14 C24 6.2490 1.2290 -1.1490 c6 1 28G 0.151600
15 C27 2.4910 -3.4590 0.6100 ca 1 28G -0.068000
16 C31 3.4990 -1.5190 -0.3320 ca 1 28G 0.367900
17 C28 3.6750 -4.1360 0.3610 ca 1 28G -0.169000
18 C29 4.7170 -3.4430 -0.2330 ca 1 28G 0.335900
19 C26 2.3820 -2.1160 0.2610 cp 1 28G -0.074000
20 C5 -5.6810 0.0730 0.4380 c 1 28G 0.660100
21 C25 5.8080 1.5960 0.2560 c6 1 28G 0.133300
22 C18 2.3780 1.8180 1.6610 c3 1 28G 0.174600
23 N30 4.6310 -2.1610 -0.5750 nb 1 28G -0.679000
24 N9 -2.5470 -1.6440 0.0260 nd 1 28G -0.599100
25 N14 -0.0140 0.6090 1.2170 nb 1 28G -0.719000
26 N20 4.3930 1.9100 0.2570 n3 1 28G -0.730600
27 N7 -4.7260 -0.8750 0.1300 ns 1 28G -0.420400
28 N4 -6.9430 -0.3080 0.1860 ns 1 28G -0.502900
29 O6 -5.3610 1.1520 0.9150 o 1 28G -0.614100
30 O23 5.9650 2.2620 -2.0690 os 1 28G -0.453000
31 S16 -2.7240 0.7650 1.0030 ss 1 28G -0.054500
32 H1 -9.6360 2.0270 -2.4020 ha 1 28G 0.164500
33 H2 -10.3080 0.7720 -1.2290 ha 1 28G 0.164500
34 H3 -7.5230 2.0600 -1.1890 ha 1 28G 0.187000
35 H4 -7.8790 1.2230 1.2210 h1 1 28G 0.067200
36 H5 -8.9440 -0.0220 0.5980 h1 1 28G 0.067200
37 H6 -0.1220 -2.9490 -0.3250 ha 1 28G 0.137000
38 H7 3.9950 3.1860 1.9160 h1 1 28G 0.046200
39 H8 4.3910 1.5180 2.2950 h1 1 28G 0.046200
40 H10 3.0450 3.1800 -0.7210 h1 1 28G 0.039700
41 H11 3.9940 1.7340 -2.4150 h1 1 28G 0.054950
42 H12 4.4490 3.4110 -2.7610 h1 1 28G 0.054950
43 H13 7.3270 1.0600 -1.1730 h1 1 28G 0.054950
44 H14 5.7530 0.2950 -1.4480 h1 1 28G 0.054950
45 H15 1.6630 -3.9690 1.0860 ha 1 28G 0.119000
46 H16 3.4800 -0.4720 -0.6150 h4 1 28G 0.044100
47 H17 3.7910 -5.1770 0.6270 ha 1 28G 0.122000
48 H18 5.6580 -3.9400 -0.4420 h4 1 28G 0.016100
49 H19 5.9880 0.7420 0.9130 h1 1 28G 0.039700
50 H20 6.4210 2.4330 0.6310 h1 1 28G 0.039700
51 H21 1.7960 2.3900 0.9330 h1 1 28G 0.051700
52 H22 1.9910 2.0630 2.6540 h1 1 28G 0.051700
53 H24 -4.9970 -1.7720 -0.2510 hn 1 28G 0.335500
54 H25 -7.1120 -1.1650 -0.3190 hn 1 28G 0.316500
55 H9 4.6070 3.9250 -0.3710 h1 1 28G 0.039700
@<TRIPOS>BOND
1 1 2 2
2 1 32 1
3 1 33 1
4 2 3 1
5 2 34 1
6 3 28 1
7 3 35 1
8 3 36 1
9 4 24 2
10 4 27 1
11 4 31 1
12 5 6 ar
13 5 9 ar
14 5 24 1
15 6 7 ar
16 6 37 1
17 7 8 ar
18 7 19 1
19 8 10 1
20 8 25 ar
21 9 25 ar
22 9 31 1
23 10 22 1
24 11 22 1
25 11 26 1
26 11 38 1
27 11 39 1
28 12 13 1
29 12 26 1
30 12 40 1
31 12 55 1
32 13 30 1
33 13 41 1
34 13 42 1
35 14 21 1
36 14 30 1
37 14 43 1
38 14 44 1
39 15 17 ar
40 15 19 ar
41 15 45 1
42 16 19 ar
43 16 23 ar
44 16 46 1
45 17 18 ar
46 17 47 1
47 18 23 ar
48 18 48 1
49 20 27 1
50 20 28 1
51 20 29 2
52 21 26 1
53 21 49 1
54 21 50 1
55 22 51 1
56 22 52 1
57 27 53 1
58 28 54 1
@<TRIPOS>SUBSTRUCTURE
1 28G 1 TEMP 0 **** **** 0 ROOT