REMARK  Name = BDB029706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.532  -0.265   1.151  0.00  0.00    -0.293 NA
ATOM      2  C   LIG    1       -0.439  -0.253   2.140  0.00  0.00    +0.104 C 
ATOM      3  C   LIG    1        0.962  -0.642   1.607  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        1.341   0.172   0.441  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1        0.236   0.727  -0.360  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -1.033  -0.149  -0.233  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.664   0.449   0.149  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1        3.735  -0.308   0.648  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1        5.056  -0.094   0.407  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1        5.347   0.958  -0.402  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1        4.384   1.781  -0.961  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1        3.042   1.515  -0.679  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.798   1.209  -0.672  0.00  0.00    +0.263 C 
ATOM     14  N   LIG    1        7.643   0.294  -0.073  0.00  0.00    -0.307 N 
ATOM     15  H   LIG    1        7.196  -0.408   0.511  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        7.168   2.152  -1.363  0.00  0.00    -0.269 OA
BRANCH  14  17
ATOM     17  C   LIG    1        9.061   0.370  -0.151  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1        9.903  -0.860   0.053  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        9.802  -0.237  -1.309  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.542  -1.318   1.369  0.00  0.00    +0.085 C 
ATOM     21  C   LIG    1       -2.006  -2.752   1.211  0.00  0.00    +0.029 C 
BRANCH  20  32
ATOM     22  C   LIG    1       -9.319   1.244  -2.052  0.00  0.00    +0.049 C 
ATOM     23  C   LIG    1       -8.069   0.892  -1.311  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -7.681   1.803  -0.186  0.00  0.00    +0.252 A 
ATOM     25  O   LIG    1       -8.357   2.782   0.115  0.00  0.00    -0.268 OA
ATOM     26  N   LIG    1       -6.536   1.492   0.501  0.00  0.00    -0.321 N 
ATOM     27  H   LIG    1       -6.286   2.116   1.256  0.00  0.00    +0.169 HD
ATOM     28  C   LIG    1       -5.740   0.382   0.197  0.00  0.00    +0.068 A 
ATOM     29  C   LIG    1       -6.097  -0.466  -0.847  0.00  0.00    +0.088 A 
ATOM     30  N   LIG    1       -5.386  -1.555  -1.204  0.00  0.00    -0.253 NA
ATOM     31  C   LIG    1       -4.264  -1.803  -0.484  0.00  0.00    +0.116 A 
ATOM     32  C   LIG    1       -3.815  -1.024   0.584  0.00  0.00    -0.010 A 
ATOM     33  C   LIG    1       -4.586   0.102   0.918  0.00  0.00    +0.034 A 
ATOM     34  C   LIG    1       -7.307  -0.175  -1.609  0.00  0.00    +0.038 A 
ENDBRANCH  20  32
ENDBRANCH   1  20
TORSDOF 5