REMARK  Name = BDB012800
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.907   0.244   0.724  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.377  -0.625  -0.416  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.030  -0.270  -0.528  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.860  -0.990  -1.368  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.403  -1.922  -2.033  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.297   0.982   0.163  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1       -0.079   1.522   0.537  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1       -4.614  -0.514   0.964  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -3.228  -0.676   0.998  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -2.404   0.408   0.698  0.00  0.00    +0.048 A 
ATOM     11  N   LIG    1       -2.906   1.620   0.375  0.00  0.00    -0.256 NA
ATOM     12  C   LIG    1       -4.250   1.770   0.345  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -4.782   3.124  -0.018  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1       -5.130   0.732   0.632  0.00  0.00    +0.046 A 
BRANCH   8  17
ATOM     15  C   LIG    1       -7.281  -3.093   1.662  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1       -6.788  -1.714   1.299  0.00  0.00    +0.214 C 
ATOM     17  N   LIG    1       -5.406  -1.642   1.273  0.00  0.00    -0.286 N 
ATOM     18  H   LIG    1       -4.904  -2.493   1.492  0.00  0.00    +0.155 HD
ATOM     19  O   LIG    1       -7.577  -0.812   1.043  0.00  0.00    -0.276 OA
ENDBRANCH   8  17
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  C   LIG    1        3.259  -0.651  -1.474  0.00  0.00    +0.121 A 
ATOM     21  N   LIG    1        4.012  -1.170  -2.497  0.00  0.00    -0.272 N 
ATOM     22  H   LIG    1        3.687  -1.796  -3.228  0.00  0.00    +0.189 HD
ATOM     23  N   LIG    1        5.297  -0.782  -2.496  0.00  0.00    -0.178 NA
ATOM     24  C   LIG    1        5.399  -0.010  -1.410  0.00  0.00    +0.066 A 
ATOM     25  C   LIG    1        4.156   0.093  -0.734  0.00  0.00    +0.057 A 
BRANCH  24  26
ATOM     26  C   LIG    1        6.718   0.610  -1.045  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.641   2.138  -1.047  0.00  0.00    +0.014 C 
ATOM     28  C   LIG    1        7.224   0.100   0.306  0.00  0.00    +0.014 C 
ENDBRANCH  24  26
ENDBRANCH   4  20
TORSDOF 4