Chemical Components in the PDB

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PDBeChem : Atoms of Molecule

 Molecule : BCH

Atoms of a chemical element, that composes a molecule

Total Number of Atoms: 32


Record Atom Name Symbol PDB Name Stereochemistry Is Aromatic Is Leaving Atom Charge X-Coordinate Y-Coordinate Z-Coordinate
1 C21 C C21 N N N 0 5.66 0.168 0.0
2 C20 C C20 N N N 0 4.217 0.675 0.0
3 C19 C C19 N N N 0 3.257 -0.517 0.0
4 C18 C C18 N N N 0 1.836 -0.017 0.0
5 O12 O O12 N N N 0 1.612 1.175 0.0
6 S17 S S17 N N N 0 0.537 -1.132 0.0
7 C16 C C16 N N N 0 -0.863 0.016 0.0
8 C15 C C15 N N N 0 -2.172 -0.775 0.0
9 N14 N N14 N N N 1 -3.308 0.156 0.0
10 C13 C C13 N N N 0 -3.247 1.002 -1.199
11 C22 C C22 N N N 0 -4.565 -0.604 0.0
12 C11 C C11 N N N 0 -3.247 1.002 1.199
13 H211 H 1H21 N N N 0 6.344 1.017 0.0
14 H212 H 2H21 N N N 0 5.833 -0.438 0.89
15 H213 H 3H21 N N N 0 5.833 -0.438 -0.89
16 H201 H 1H20 N N N 0 4.045 1.28 0.89
17 H202 H 2H20 N N N 0 4.045 1.28 -0.89
18 H191 H 1H19 N N N 0 3.43 -1.122 -0.89
19 H192 H 2H19 N N N 0 3.43 -1.122 0.89
20 H161 H 1H16 N N N 0 -0.818 0.644 0.89
21 H162 H 2H16 N N N 0 -0.818 0.644 -0.89
22 H151 H 1H15 N N N 0 -2.217 -1.403 -0.89
23 H152 H 2H15 N N N 0 -2.217 -1.403 0.89
24 H131 H 1H13 N N N 0 -3.292 0.375 -2.089
25 H132 H 2H13 N N N 0 -4.09 1.694 -1.199
26 H133 H 3H13 N N N 0 -2.314 1.566 -1.199
27 H221 H 1H22 N N N 0 -4.61 -1.231 0.89
28 H222 H 2H22 N N N 0 -5.407 0.088 0.0
29 H223 H 3H22 N N N 0 -4.61 -1.231 -0.89
30 H111 H 1H11 N N N 0 -2.314 1.566 1.199
31 H112 H 2H11 N N N 0 -4.09 1.694 1.199
32 H113 H 3H11 N N N 0 -3.292 0.375 2.089