|
0
|
1 <node>NME
|
|
|
2 <node>Names
|
|
|
3 <node>Methylamine</node>
|
|
|
4 </node>
|
|
|
5 <node>Atoms
|
|
|
6 <node>N<value>N 0.724 0.000 -0.079</value></node>
|
|
|
7 <node>CH3<value>C -0.742 0.000 0.011</value></node>
|
|
|
8 <node>1H<value>H 1.046 0.810 0.431</value></node>
|
|
|
9 <node>2H<value>H 1.046 -0.810 0.431</value></node>
|
|
|
10 <node>1HH3<value>H -1.139 -0.861 -0.527</value></node>
|
|
|
11 <node>2HH3<value>H -1.042 -0.056 1.057</value></node>
|
|
|
12 <node>3HH3<value>H -1.133 0.917 -0.431</value></node>
|
|
|
13 </node>
|
|
|
14 <node>Bonds
|
|
|
15 <node>1<value>N CH3 s</value></node>
|
|
|
16 <node>2<value>N 1H s</value></node>
|
|
|
17 <node>3<value>N 2H s</value></node>
|
|
|
18 <node>4<value>CH3 1HH3 s</value></node>
|
|
|
19 <node>5<value>CH3 2HH3 s</value></node>
|
|
|
20 <node>6<value>CH3 3HH3 s</value></node>
|
|
|
21 </node>
|
|
|
22 <node>Connections
|
|
|
23 <node>N-term<value>N C-term s 1.33 0.5</value></node>
|
|
|
24 </node>
|
|
|
25 <node>Properties
|
|
|
26 </node>
|
|
|
27 <node>Variants
|
|
|
28 <node>NME-C
|
|
|
29 <node>Delete
|
|
|
30 <node>2H</node>
|
|
|
31 </node>
|
|
|
32 <node>Rename
|
|
|
33 <node>1H<value>H</value></node>
|
|
|
34 </node>
|
|
|
35 <node>Properties
|
|
|
36 <node>C_TERMINAL</node>
|
|
|
37 </node>
|
|
|
38 </node>
|
|
|
39 <node>NME-M
|
|
|
40 <node>Properties
|
|
|
41 <node>C_TERMINAL</node>
|
|
|
42 <node>N_TERMINAL</node>
|
|
|
43 </node>
|
|
|
44 </node>
|
|
|
45 </node>
|
|
|
46 </node>
|
