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tryptophan.pdb
DalkeSci.12160706013D
32 28 0 0 0 0 0 0 0 0999 V2000
-1.4520 0.0061 0.5210 C 0 0 0 0 0
-2.4914 -0.8349 0.5204 C 0 0 0 0 0
-1.8035 -2.4517 0.5212 N 0 0 0 0 0
-0.3733 -2.1482 0.5219 C 0 0 0 0 0
-0.1506 -0.7458 0.5219 C 0 0 0 0 0
0.7298 -3.0423 0.5358 C 0 0 0 0 0
2.0556 -2.5339 0.5496 C 0 0 0 0 0
2.2782 -1.1316 0.4969 C 0 0 0 0 0
1.1752 -0.2375 0.5094 C 0 0 0 0 0
-1.5379 1.1027 0.5311 H 0 0 0 0 0
-3.3041 -0.7044 -0.2093 H 0 0 0 0 0
-2.1610 -3.1400 -0.1867 H 0 0 0 0 0
0.5574 -4.1286 0.5262 H 0 0 0 0 0
2.9098 -3.2257 0.5915 H 0 0 0 0 0
3.3041 -0.7392 0.4369 H 0 0 0 0 0
1.3478 0.8488 0.5189 H 0 0 0 0 0
-1.8300 2.4262 -0.8409 C 0 0 0 0 0
-2.9276 1.9220 -0.9182 O 0 0 0 0 0
-1.4612 3.7787 -1.3892 O 0 0 0 0 0
-0.5853 1.8470 -0.2139 C 0 0 0 0 0
0.4864 1.7183 -1.2087 N 0 0 0 0 0
-0.8878 0.4700 0.3625 C 0 0 0 0 0
0.3735 -0.1058 0.9925 C 0 0 0 0 0
-2.2660 4.1287 -1.8071 H 0 0 0 0 0
-0.2498 2.5432 0.5869 H 0 0 0 0 0
1.3167 1.3258 -0.7652 H 0 0 0 0 0
0.7762 2.6459 -1.5182 H 0 0 0 0 0
-1.2352 -0.2039 -0.4524 H 0 0 0 0 0
-1.6809 0.5598 1.1380 H 0 0 0 0 0
0.1617 -1.1127 1.4166 H 0 0 0 0 0
0.7313 0.5625 1.8071 H 0 0 0 0 0
1.1746 -0.1970 0.2253 H 0 0 0 0 0
28 1 1 0 0 0
22 1 1 0 0 0
1 29 1 0 0 0
2 3 1 0 0 0
11 2 1 0 0 0
3 4 1 0 0 0
12 3 1 0 0 0
4 6 2 0 0 0
5 23 1 0 0 0
5 30 1 0 0 0
6 7 1 0 0 0
6 13 1 0 0 0
7 8 2 0 0 0
7 14 1 0 0 0
8 9 1 0 0 0
8 15 1 0 0 0
9 16 1 0 0 0
9 23 1 0 0 0
22 10 1 0 0 0
17 20 1 0 0 0
19 17 1 0 0 0
18 17 2 0 0 0
24 19 1 0 0 0
20 21 1 0 0 0
20 25 1 0 0 0
27 21 1 0 0 0
21 26 1 0 0 0
23 31 1 0 0 0
M END
> <COMPND>
tryptophan2
> <simple>
This is a simple data line
> <noblank>
This line is not followed by a blank line
> <twolines>
This contains two lines
but the reader will only get the first
> <duplicate>
This is the first version.
> <duplicate>
This is the second version. (only the first will be returned)
> <embedded-tags>
I<junk> have<junk> tags <junk> in the data line <junk>
> (REGID) <junk>
This line contains some of the strange junk that might exist on the tag line
> <blank lines>
> <last>
$$$$
tryptophan1.pdb
DalkeSci.12160706013D
32 28 0 0 0 0 0 0 0 0999 V2000
-1.4520 0.0061 0.5210 C 0 0 0 0 0
-2.4914 -0.8349 0.5204 C 0 0 0 0 0
-1.8035 -2.4517 0.5212 N 0 0 0 0 0
-0.3733 -2.1482 0.5219 C 0 0 0 0 0
-0.1506 -0.7458 0.5219 C 0 0 0 0 0
0.7298 -3.0423 0.5358 C 0 0 0 0 0
2.0556 -2.5339 0.5496 C 0 0 0 0 0
2.2782 -1.1316 0.4969 C 0 0 0 0 0
1.1752 -0.2375 0.5094 C 0 0 0 0 0
-1.5379 1.1027 0.5311 H 0 0 0 0 0
-3.3041 -0.7044 -0.2093 H 0 0 0 0 0
-2.1610 -3.1400 -0.1867 H 0 0 0 0 0
0.5574 -4.1286 0.5262 H 0 0 0 0 0
2.9098 -3.2257 0.5915 H 0 0 0 0 0
3.3041 -0.7392 0.4369 H 0 0 0 0 0
1.3478 0.8488 0.5189 H 0 0 0 0 0
-1.8300 2.4262 -0.8409 C 0 0 0 0 0
-2.9276 1.9220 -0.9182 O 0 0 0 0 0
-1.4612 3.7787 -1.3892 O 0 0 0 0 0
-0.5853 1.8470 -0.2139 C 0 0 0 0 0
0.4864 1.7183 -1.2087 N 0 0 0 0 0
-0.8878 0.4700 0.3625 C 0 0 0 0 0
0.3735 -0.1058 0.9925 C 0 0 0 0 0
-2.2660 4.1287 -1.8071 H 0 0 0 0 0
-0.2498 2.5432 0.5869 H 0 0 0 0 0
1.3167 1.3258 -0.7652 H 0 0 0 0 0
0.7762 2.6459 -1.5182 H 0 0 0 0 0
-1.2352 -0.2039 -0.4524 H 0 0 0 0 0
-1.6809 0.5598 1.1380 H 0 0 0 0 0
0.1617 -1.1127 1.4166 H 0 0 0 0 0
0.7313 0.5625 1.8071 H 0 0 0 0 0
1.1746 -0.1970 0.2253 H 0 0 0 0 0
28 1 1 0 0 0
22 1 1 0 0 0
1 29 1 0 0 0
2 3 1 0 0 0
11 2 1 0 0 0
3 4 1 0 0 0
12 3 1 0 0 0
4 6 2 0 0 0
5 23 1 0 0 0
5 30 1 0 0 0
6 7 1 0 0 0
6 13 1 0 0 0
7 8 2 0 0 0
7 14 1 0 0 0
8 9 1 0 0 0
8 15 1 0 0 0
9 16 1 0 0 0
9 23 1 0 0 0
22 10 1 0 0 0
17 20 1 0 0 0
19 17 1 0 0 0
18 17 2 0 0 0
24 19 1 0 0 0
20 21 1 0 0 0
20 25 1 0 0 0
27 21 1 0 0 0
21 26 1 0 0 0
23 31 1 0 0 0
M END
> <nada>
> <fini>
$$$$
|
