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9s-9z.sdf
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9s
xed2sdf 3D
37 39 0 0 0 0 0 0 0 0999 V2000
4.8566 12.7566 43.4805 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0810 13.3526 45.8336 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3092 15.2228 39.6074 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5703 12.3615 42.2949 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3645 10.5547 41.8103 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4625 11.2127 42.6129 C 0 0 0 0 0 0 0 0 0 0 0 0
10.7173 13.2922 42.2862 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1057 10.7830 43.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6508 14.7193 43.8018 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7125 15.0202 42.5141 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1324 12.7028 43.1613 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3567 14.1633 41.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9239 13.0362 42.1666 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2110 13.6003 44.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4329 14.4877 40.2800 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6210 15.9063 39.8137 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7957 15.8891 44.7330 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.5456 11.2248 41.6482 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2047 9.2477 41.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4523 11.5930 44.0155 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0354 13.3229 46.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5701 14.1473 46.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5435 12.4088 46.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4460 15.5287 40.1799 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9993 14.9399 38.6122 H 0 0 0 0 0 0 0 0 0 0 0 0
11.6368 12.7297 42.2196 H 0 0 0 0 0 0 0 0 0 0 0 0
10.7160 13.8736 43.1964 H 0 0 0 0 0 0 0 0 0 0 0 0
10.6376 13.9538 41.4363 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1770 9.7756 43.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4852 10.7895 42.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9173 13.7400 39.6696 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7058 16.7050 40.5357 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2590 16.1163 38.9680 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1543 9.0105 41.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6399 9.3011 40.1412 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7036 8.4796 41.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4232 11.3351 45.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
1 13 2 0
1 14 1 0
1 20 1 0
2 14 1 0
3 15 1 0
3 16 1 0
4 7 1 0
4 11 1 0
4 18 2 0
5 6 2 0
5 18 1 0
5 19 1 0
6 8 1 0
6 11 1 0
8 20 1 0
9 10 1 0
9 14 2 0
9 17 1 0
10 12 2 0
12 13 1 0
12 15 1 0
15 16 1 0
2 21 1 0
2 22 1 0
2 23 1 0
3 24 1 0
3 25 1 0
7 26 1 0
7 27 1 0
7 28 1 0
8 29 1 0
8 30 1 0
15 31 1 0
16 32 1 0
16 33 1 0
19 34 1 0
19 35 1 0
19 36 1 0
20 37 1 0
M END
> <Protein>
5C2A_P
> <Favorite_cresset>
false
> <Protein_cresset>
5C2A_P [Unassociated]
> <MW_cresset>
308.8
> <#Atoms_cresset>
20
> <SlogP_cresset>
4.0
> <TPSA_cresset>
50.7
> <Flexibility_cresset>
2.3
> <HBA_cresset>
4
> <HBD_cresset>
1
> <Rof5_cresset>
0
> <Confs_cresset>
0
> <Poses_cresset>
0
$$$$
9z
xed2sdf 3D
34 36 0 0 0 0 0 0 0 0999 V2000
4.8566 12.7566 43.4805 C 0 0 0 0 0 0 0 0 0 0 0 0
4.0810 13.3525 45.8336 C 0 0 0 0 0 0 0 0 0 0 0 0
3.3092 15.2229 39.6075 C 0 0 0 0 0 0 0 0 0 0 0 0
9.5703 12.3614 42.2949 C 0 0 0 0 0 0 0 0 0 0 0 0
8.3644 10.5546 41.8102 C 0 0 0 0 0 0 0 0 0 0 0 0
7.4625 11.2126 42.6129 C 0 0 0 0 0 0 0 0 0 0 0 0
6.1057 10.7831 43.0101 C 0 0 0 0 0 0 0 0 0 0 0 0
3.6509 14.7193 43.8019 C 0 0 0 0 0 0 0 0 0 0 0 0
3.7125 15.0203 42.5142 N 0 0 0 0 0 0 0 0 0 0 0 0
8.1323 12.7027 43.1614 S 0 0 0 0 0 0 0 0 0 0 0 0
4.3568 14.1633 41.7158 C 0 0 0 0 0 0 0 0 0 0 0 0
4.9239 13.0362 42.1666 N 0 0 0 0 0 0 0 0 0 0 0 0
4.2110 13.6003 44.3631 C 0 0 0 0 0 0 0 0 0 0 0 0
4.4329 14.4878 40.2801 C 0 0 0 0 0 0 0 0 0 0 0 0
4.6211 15.9063 39.8138 C 0 0 0 0 0 0 0 0 0 0 0 0
2.7958 15.8892 44.7331 Cl 0 0 0 0 0 0 0 0 0 0 0 0
9.5455 11.2247 41.6482 N 0 0 0 0 0 0 0 0 0 0 0 0
8.2045 9.2476 41.1282 C 0 0 0 0 0 0 0 0 0 0 0 0
5.4523 11.5930 44.0154 N 0 0 0 0 0 0 0 0 0 0 0 0
3.0355 13.3229 46.1026 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5702 14.1472 46.3772 H 0 0 0 0 0 0 0 0 0 0 0 0
4.5435 12.4087 46.0819 H 0 0 0 0 0 0 0 0 0 0 0 0
2.4461 15.5288 40.1800 H 0 0 0 0 0 0 0 0 0 0 0 0
2.9993 14.9401 38.6123 H 0 0 0 0 0 0 0 0 0 0 0 0
10.4217 13.0258 42.2836 H 0 0 0 0 0 0 0 0 0 0 0 0
6.1768 9.7756 43.3926 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4851 10.7895 42.1262 H 0 0 0 0 0 0 0 0 0 0 0 0
4.9173 13.7400 39.6697 H 0 0 0 0 0 0 0 0 0 0 0 0
4.7059 16.7050 40.5358 H 0 0 0 0 0 0 0 0 0 0 0 0
5.2592 16.1162 38.9681 H 0 0 0 0 0 0 0 0 0 0 0 0
7.1541 9.0104 41.0461 H 0 0 0 0 0 0 0 0 0 0 0 0
8.6397 9.3010 40.1411 H 0 0 0 0 0 0 0 0 0 0 0 0
8.7034 8.4795 41.7005 H 0 0 0 0 0 0 0 0 0 0 0 0
5.4232 11.3351 45.0638 H 0 0 0 0 0 0 0 0 0 0 0 0
1 12 2 0
1 13 1 0
1 19 1 0
2 13 1 0
3 14 1 0
3 15 1 0
4 10 1 0
4 17 2 0
5 6 2 0
5 17 1 0
5 18 1 0
6 7 1 0
6 10 1 0
7 19 1 0
8 9 1 0
8 13 2 0
8 16 1 0
9 11 2 0
11 12 1 0
11 14 1 0
14 15 1 0
2 20 1 0
2 21 1 0
2 22 1 0
3 23 1 0
3 24 1 0
4 25 1 0
7 26 1 0
7 27 1 0
14 28 1 0
15 29 1 0
15 30 1 0
18 31 1 0
18 32 1 0
18 33 1 0
19 34 1 0
M END
> <Protein>
5C2A_P
> <Favorite_cresset>
false
> <Protein_cresset>
5C2A_P [Unassociated]
> <MW_cresset>
294.8
> <#Atoms_cresset>
19
> <SlogP_cresset>
3.7
> <TPSA_cresset>
50.7
> <Flexibility_cresset>
2.3
> <HBA_cresset>
4
> <HBD_cresset>
1
> <Rof5_cresset>
0
> <Confs_cresset>
0
> <Poses_cresset>
0
$$$$