X4P.mol2

@<TRIPOS>MOLECULE
X4P
   15    15     1     0     0
SMALL
abcg2


@<TRIPOS>ATOM
      1 C1          17.5810    -0.9180    44.9670 c          1 X4P       0.614700
      2 C2          16.9480     0.1560    44.1280 ca         1 X4P      -0.108600
      3 C3          16.1390    -0.2180    43.0600 ca         1 X4P      -0.116000
      4 C4          15.5730     0.7740    42.2810 ca         1 X4P       0.344900
      5 C5          16.5590     2.4050    43.4880 ca         1 X4P       0.435000
      6 C6          17.1720     1.5070    44.3500 ca         1 X4P      -0.133000
      7 N1          17.8520    -0.5850    46.2330 nt         1 X4P      -0.597000
      8 N2          15.7810     2.0710    42.4890 nb         1 X4P      -0.646000
      9 O1          17.8220    -2.0110    44.4810 o          1 X4P      -0.588100
     10 CL1         16.8310     4.1000    43.7270 cl         1 X4P      -0.163000
     11 H1          15.9450    -1.2580    42.8400 ha         1 X4P       0.150000
     12 H2          14.9270     0.5190    41.4500 h4         1 X4P       0.032100
     13 H3          17.8120     1.8660    45.1440 ha         1 X4P       0.138000
     14 H4          18.2470    -1.2730    46.8550 hn         1 X4P       0.318500
     15 H5          17.5210     0.2670    46.6520 hn         1 X4P       0.318500
@<TRIPOS>BOND
     1     1     2 1   
     2     1     7 1   
     3     1     9 2   
     4     2     3 ar  
     5     2     6 ar  
     6     3     4 ar  
     7     3    11 1   
     8     4     8 ar  
     9     4    12 1   
    10     5     6 ar  
    11     5     8 ar  
    12     5    10 1   
    13     6    13 1   
    14     7    14 1   
    15     7    15 1   
@<TRIPOS>SUBSTRUCTURE
     1 X4P         1 TEMP              0 ****  ****    0 ROOT