REMARK  Name = BDB000340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.559   0.938  -0.221  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1       -0.337   0.774   0.462  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1        0.716   1.702   0.373  0.00  0.00    +0.033 A 
ATOM      4  N   LIG    1        1.920   1.539   1.064  0.00  0.00    -0.330 N 
ATOM      5  C   LIG    1        3.034   2.424   0.703  0.00  0.00    +0.105 C 
ATOM      6  C   LIG    1        2.555   3.857   0.561  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        1.536   3.923  -0.562  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1        0.482   2.853  -0.413  0.00  0.00    -0.026 A 
ATOM      9  C   LIG    1       -0.726   3.020  -1.112  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -1.738   2.071  -1.016  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1       -2.788  -1.142  -0.936  0.00  0.00    +0.056 A 
ATOM     12  C   LIG    1       -2.633  -0.054  -0.079  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -3.582   0.027   0.945  0.00  0.00    +0.129 A 
ATOM     14  N   LIG    1       -4.575  -0.860   1.094  0.00  0.00    -0.199 NA
ATOM     15  C   LIG    1       -4.645  -1.852   0.211  0.00  0.00    +0.214 A 
ATOM     16  N   LIG    1       -3.781  -2.048  -0.785  0.00  0.00    -0.219 NA
BRANCH  13  17
ATOM     17  N   LIG    1       -3.547   1.074   1.887  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1       -2.639   1.084   2.345  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1       -3.633   1.961   1.398  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1       -5.655  -2.778   0.369  0.00  0.00    -0.327 N 
ATOM     21  H   LIG    1       -5.967  -2.768   1.331  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -5.370  -3.664  -0.022  0.00  0.00    +0.145 HD
ENDBRANCH  15  20
BRANCH  11  24
ATOM     23  C   LIG    1       -0.750  -2.400  -1.676  0.00  0.00    +0.010 C 
ATOM     24  C   LIG    1       -1.844  -1.423  -2.080  0.00  0.00    +0.053 C 
ENDBRANCH  11  24
ENDBRANCH   1  12
BRANCH   4  25
ATOM     25  C   LIG    1        2.297   0.260   1.684  0.00  0.00    +0.107 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.777  -0.756   0.648  0.00  0.00    +0.047 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.068  -2.103   1.302  0.00  0.00    +0.161 C 
BRANCH  27  28
ATOM     28  O   LIG    1        3.697  -3.009   0.396  0.00  0.00    -0.383 OA
ATOM     29  C   LIG    1        2.805  -3.569  -0.558  0.00  0.00    +0.193 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 8