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24Q.mol2
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@<TRIPOS>MOLECULE
24Q
67 70 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 C10 -3.9550 -2.2720 1.2910 ca 1 24Q -0.076000
2 C17 1.1460 -0.1660 0.3240 ca 1 24Q 0.026000
3 C20 2.9170 1.4130 -0.0890 ca 1 24Q -0.046000
4 C21 3.8550 0.5200 0.4160 ca 1 24Q -0.192600
5 C22 3.4150 -0.7160 0.8870 ca 1 24Q -0.028000
6 C24 1.0920 -3.3600 0.3400 ca 1 24Q -0.101300
7 C26 1.6460 -3.4340 -0.9370 ca 1 24Q -0.110000
8 C28 -0.5140 -5.0530 -0.2990 ca 1 24Q -0.105500
9 C01 -8.6760 2.5840 -0.1120 c6 1 24Q -0.072400
10 C02 -7.9540 1.4780 -0.8750 c6 1 24Q -0.072400
11 C03 -6.6320 1.0950 -0.2100 c6 1 24Q -0.055700
12 C04 -5.7490 2.3320 -0.0440 c6 1 24Q -0.072400
13 C05 -6.4660 3.4410 0.7210 c6 1 24Q -0.072400
14 C06 -7.7900 3.8130 0.0610 c6 1 24Q -0.075400
15 C07 -5.9360 -0.0220 -1.0040 c3 1 24Q -0.127700
16 C08 -4.7970 -0.6400 -0.2510 ca 1 24Q 0.362300
17 C09 -5.0090 -1.7570 0.5620 ca 1 24Q -0.143000
18 C11 -2.7110 -1.6630 1.1940 ca 1 24Q -0.145000
19 C12 -2.5910 -0.5630 0.3570 ca 1 24Q 0.294500
20 N13 -3.6040 -0.0670 -0.3440 nb 1 24Q -0.630000
21 C14 -1.3090 0.2110 0.2420 c 1 24Q 0.518600
22 O15 -1.3100 1.4200 0.1450 o 1 24Q -0.537100
23 N16 -0.1910 -0.5650 0.2790 ns 1 24Q -0.157000
24 C18 2.0820 -1.0790 0.8490 ca 1 24Q -0.141300
25 C19 1.5750 1.0780 -0.1360 ca 1 24Q -0.144000
26 C23 1.6550 -2.4210 1.3850 c3 1 24Q 0.012200
27 C25 1.1290 -4.3080 -1.8810 ca 1 24Q -0.105500
28 C27 0.0070 -4.1800 0.6460 ca 1 24Q -0.110000
29 C29 0.0460 -5.1200 -1.5670 ca 1 24Q -0.105000
30 C30 5.3010 0.8280 0.5100 c 1 24Q 0.654700
31 O31 6.0540 0.2420 1.2600 o 1 24Q -0.563100
32 N32 5.7540 1.8190 -0.3290 ns 1 24Q -0.587300
33 S33 7.3080 2.4560 -0.2790 s6 1 24Q 1.221800
34 O34 7.2880 3.5050 -1.2820 o 1 24Q -0.523500
35 O35 7.6400 2.7830 1.0920 o 1 24Q -0.523500
36 C36 8.3470 1.1360 -0.8380 c3 1 24Q -0.362100
37 H101 -4.0940 -3.1310 1.9340 ha 1 24Q 0.123000
38 H201 3.2020 2.3960 -0.4410 ha 1 24Q 0.119000
39 H221 4.1320 -1.4170 1.2950 ha 1 24Q 0.134000
40 H261 2.4870 -2.8020 -1.1980 ha 1 24Q 0.114500
41 H281 -1.3610 -5.6780 -0.0450 ha 1 24Q 0.116000
42 H011 -9.6020 2.8520 -0.6290 hc 1 24Q 0.038200
43 H012 -8.9700 2.2090 0.8740 hc 1 24Q 0.038200
44 H021 -8.5970 0.5960 -0.9540 hc 1 24Q 0.044450
45 H022 -7.7550 1.8120 -1.9010 hc 1 24Q 0.044450
46 H031 -6.8630 0.7020 0.7900 hc 1 24Q 0.043700
47 H041 -4.8150 2.0750 0.4600 hc 1 24Q 0.044450
48 H042 -5.4670 2.6980 -1.0390 hc 1 24Q 0.044450
49 H051 -6.6550 3.1060 1.7470 hc 1 24Q 0.038200
50 H052 -5.8190 4.3190 0.7970 hc 1 24Q 0.038200
51 H061 -7.5920 4.2580 -0.9210 hc 1 24Q 0.038700
52 H062 -8.3070 4.5740 0.6500 hc 1 24Q 0.038700
53 H071 -6.6710 -0.7970 -1.2350 hc 1 24Q 0.058700
54 H072 -5.5750 0.3800 -1.9550 hc 1 24Q 0.058700
55 H091 -5.9920 -2.2050 0.6190 ha 1 24Q 0.128000
56 H111 -1.8800 -2.0250 1.7840 ha 1 24Q 0.125000
57 H161 -0.3450 -1.5630 0.2520 hn 1 24Q 0.169000
58 H191 0.8740 1.7910 -0.5370 ha 1 24Q 0.154000
59 H231 0.9170 -2.2870 2.1810 hc 1 24Q 0.060700
60 H232 2.5180 -2.8930 1.8610 hc 1 24Q 0.060700
61 H251 1.5710 -4.3530 -2.8690 ha 1 24Q 0.116000
62 H271 -0.4320 -4.1370 1.6370 ha 1 24Q 0.114500
63 H291 -0.3600 -5.7980 -2.3060 ha 1 24Q 0.117000
64 H1 5.1710 2.1860 -1.0710 hn 1 24Q 0.349500
65 H361 8.0140 0.8150 -1.8220 h1 1 24Q 0.109700
66 H362 9.3590 1.5360 -0.8980 h1 1 24Q 0.109700
67 H363 8.3140 0.3140 -0.1280 h1 1 24Q 0.109700
@<TRIPOS>BOND
1 1 17 ar
2 1 18 ar
3 1 37 1
4 2 23 1
5 2 24 ar
6 2 25 ar
7 3 4 ar
8 3 25 ar
9 3 38 1
10 4 5 ar
11 4 30 1
12 5 24 ar
13 5 39 1
14 6 7 ar
15 6 26 1
16 6 28 ar
17 7 27 ar
18 7 40 1
19 8 28 ar
20 8 29 ar
21 8 41 1
22 9 10 1
23 9 14 1
24 9 42 1
25 9 43 1
26 10 11 1
27 10 44 1
28 10 45 1
29 11 12 1
30 11 15 1
31 11 46 1
32 12 13 1
33 12 47 1
34 12 48 1
35 13 14 1
36 13 49 1
37 13 50 1
38 14 51 1
39 14 52 1
40 15 16 1
41 15 53 1
42 15 54 1
43 16 17 ar
44 16 20 ar
45 17 55 1
46 18 19 ar
47 18 56 1
48 19 20 ar
49 19 21 1
50 21 22 2
51 21 23 1
52 23 57 1
53 24 26 1
54 25 58 1
55 26 59 1
56 26 60 1
57 27 29 ar
58 27 61 1
59 28 62 1
60 29 63 1
61 30 31 2
62 30 32 1
63 32 33 1
64 32 64 1
65 33 34 2
66 33 35 2
67 33 36 1
68 36 65 1
69 36 66 1
70 36 67 1
@<TRIPOS>SUBSTRUCTURE
1 24Q 1 TEMP 0 **** **** 0 ROOT