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Copy path237.mol2
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237.mol2
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@<TRIPOS>MOLECULE
237
62 65 1 0 0
SMALL
abcg2
@<TRIPOS>ATOM
1 N1 -0.2010 1.1960 -0.9930 ns 1 237 -0.136000
2 N3 4.9130 0.4190 0.1150 ns 1 237 -0.157000
3 C4 7.1600 -2.3770 0.9010 ca 1 237 -0.077500
4 C5 7.1510 -3.0840 -0.2900 ca 1 237 0.095000
5 C6 6.3950 -2.6430 -1.3640 ca 1 237 -0.077500
6 C7 5.6370 -1.4880 -1.2520 ca 1 237 -0.135500
7 C8 3.0920 4.2470 0.1210 c5 1 237 0.157300
8 C10 1.9020 2.3120 -0.6440 c5 1 237 0.047700
9 C13 -5.1310 -1.5890 -0.4110 cp 1 237 0.060000
10 C15 -6.3100 -3.6550 -0.8770 ca 1 237 -0.059000
11 C17 -7.4260 -1.9080 0.3260 ca 1 237 -0.024000
12 C20 -5.2260 0.4520 2.3340 c3 1 237 -0.335100
13 C22 -1.5610 -0.5110 0.1700 ca 1 237 -0.115000
14 C24 -2.4780 0.7900 -1.5960 ca 1 237 0.114000
15 C26 -3.8610 -0.8290 -0.5240 cp 1 237 -0.096000
16 C1 0.8440 1.3380 -0.1410 c 1 237 0.613100
17 O1 0.9250 0.8100 0.9480 o 1 237 -0.564100
18 C2 5.6200 -0.7720 -0.0540 ca 1 237 -0.008000
19 C3 6.3920 -1.2310 1.0140 ca 1 237 -0.135500
20 C9 1.6790 3.7070 -0.0480 c5 1 237 -0.088400
21 N2 3.2180 1.9480 -0.1670 n 1 237 -0.421800
22 C11 3.8810 3.0080 0.5660 c5 1 237 0.070000
23 C12 3.7080 0.7220 -0.4660 c 1 237 0.673100
24 O2 3.1020 -0.0440 -1.2040 o 1 237 -0.622100
25 O3 3.1040 5.3050 1.0300 os 1 237 -0.438000
26 C14 -5.1700 -2.8690 -0.9560 ca 1 237 -0.119000
27 C16 -7.4410 -3.1740 -0.2370 ca 1 237 -0.125000
28 C18 -6.2830 -1.1230 0.2350 ca 1 237 -0.242500
29 S1 -6.3670 0.5020 0.9720 sy 1 237 1.054500
30 C19 4.3470 5.9630 1.1170 c3 1 237 0.142900
31 O4 -7.7100 0.6610 1.5280 o 1 237 -0.526000
32 O5 -5.9100 1.4950 0.0050 o 1 237 -0.526000
33 C23 -1.3860 0.4920 -0.7810 ca 1 237 -0.037000
34 C25 -3.6930 0.1590 -1.4890 ca 1 237 -0.068000
35 C27 -2.7820 -1.1590 0.2870 ca 1 237 -0.090000
36 HN1 -0.1390 1.7020 -1.8640 hn 1 237 0.166000
37 HN3 5.2140 0.9820 0.8960 hn 1 237 0.152000
38 H4 7.7520 -2.7140 1.7410 ha 1 237 0.130000
39 H6 6.4010 -3.1870 -2.2990 ha 1 237 0.130000
40 H7 5.0740 -1.1510 -2.1080 ha 1 237 0.128500
41 H8 3.4810 4.5720 -0.8550 h1 1 237 0.045700
42 H10 1.8840 2.3570 -1.7380 h1 1 237 0.072700
43 H15 -6.3120 -4.6430 -1.3180 ha 1 237 0.120000
44 H17 -8.3050 -1.5400 0.8350 ha 1 237 0.147000
45 H201 -4.2130 0.3010 1.9720 h1 1 237 0.104700
46 H202 -5.2980 1.4160 2.8380 h1 1 237 0.104700
47 H203 -5.5130 -0.3460 3.0150 h1 1 237 0.104700
48 H22 -0.7500 -0.7970 0.8200 ha 1 237 0.154000
49 H3 6.3910 -0.6880 1.9510 ha 1 237 0.128500
50 H91 1.2070 3.6350 0.9350 hc 1 237 0.079200
51 H92 1.0550 4.3280 -0.6870 hc 1 237 0.079200
52 H111 4.9380 3.0730 0.3010 h1 1 237 0.057200
53 H112 3.7990 2.8750 1.6510 h1 1 237 0.057200
54 H14 -4.2890 -3.2490 -1.4560 ha 1 237 0.124000
55 H16 -8.3340 -3.7810 -0.1710 ha 1 237 0.122000
56 H191 4.6980 6.3030 0.1360 h1 1 237 0.034367
57 H192 4.2160 6.8340 1.7560 h1 1 237 0.034367
58 H193 5.1250 5.3300 1.5570 h1 1 237 0.034367
59 H25 -4.4980 0.4350 -2.1570 ha 1 237 0.152000
60 H27 -2.8900 -1.9370 1.0330 ha 1 237 0.123000
61 F1 -2.3210 1.7420 -2.5330 f 1 237 -0.182000
62 CL1 8.1000 -4.5290 -0.4420 cl 1 237 -0.205000
@<TRIPOS>BOND
1 1 16 1
2 1 33 1
3 1 36 1
4 2 18 1
5 2 23 1
6 2 37 1
7 3 4 ar
8 3 19 ar
9 3 38 1
10 4 5 ar
11 4 62 1
12 5 6 ar
13 5 39 1
14 6 18 ar
15 6 40 1
16 7 20 1
17 7 22 1
18 7 25 1
19 7 41 1
20 8 16 1
21 8 20 1
22 8 21 1
23 8 42 1
24 9 15 1
25 9 26 ar
26 9 28 ar
27 10 26 ar
28 10 27 ar
29 10 43 1
30 11 27 ar
31 11 28 ar
32 11 44 1
33 12 29 1
34 12 45 1
35 12 46 1
36 12 47 1
37 13 33 ar
38 13 35 ar
39 13 48 1
40 14 33 ar
41 14 34 ar
42 14 61 1
43 15 34 ar
44 15 35 ar
45 16 17 2
46 18 19 ar
47 19 49 1
48 20 50 1
49 20 51 1
50 21 22 1
51 21 23 1
52 22 52 1
53 22 53 1
54 23 24 2
55 25 30 1
56 26 54 1
57 27 55 1
58 28 29 1
59 29 31 2
60 29 32 2
61 30 56 1
62 30 57 1
63 30 58 1
64 34 59 1
65 35 60 1
@<TRIPOS>SUBSTRUCTURE
1 237 1 TEMP 0 **** **** 0 ROOT