REMARK  Name = BDB014757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.928   4.721   0.988  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.106   3.781   0.923  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -3.841   2.451   0.617  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.471   1.895   0.645  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.412   0.590  -0.064  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.314  -0.251  -0.393  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.740  -1.341  -1.041  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -3.078  -1.214  -1.118  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.526  -0.069  -0.538  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.917   0.427  -0.428  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.966   1.494   0.685  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.244   4.206   1.126  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -0.036   0.076  -0.072  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.116   0.956   0.400  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.183  -0.621  -0.246  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.383   0.023   0.118  0.00  0.00    +0.031 A 
ATOM     17  C   LIG    1        3.635  -0.597  -0.026  0.00  0.00    -0.020 A 
ATOM     18  C   LIG    1        3.684  -1.889  -0.560  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1        2.511  -2.542  -0.933  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1        1.274  -1.910  -0.778  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1        4.876   0.112   0.353  0.00  0.00    -0.044 C 
ATOM     22  C   LIG    1        5.058   1.522  -0.160  0.00  0.00    +0.035 C 
ATOM     23  C   LIG    1        6.508   2.007  -0.068  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        7.108   1.677   1.294  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1        7.078   0.172   1.561  0.00  0.00    +0.027 C 
ATOM     26  C   LIG    1        5.800  -0.488   1.128  0.00  0.00    -0.023 C 
ENDBRANCH  17  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -3.860  -2.241  -1.794  0.00  0.00    +0.147 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.337  -3.299  -0.841  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -3.459  -4.474  -0.494  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -4.679  -4.678  -1.349  0.00  0.00    +0.005 C 
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 5