REMARK  Name = BDB014731
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.240   3.852  -2.289  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.944   2.794  -1.476  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.153   1.812  -0.890  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.683   1.940  -0.795  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.055   0.633  -0.469  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.691   0.241  -0.386  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.598  -1.052  -0.058  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.866  -1.478   0.096  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.775  -0.498  -0.152  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.253  -0.580  -0.110  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.814   0.851   0.018  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.170   2.819  -1.367  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.323   1.110  -0.629  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1        0.076   2.054  -0.892  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.728   0.958  -0.566  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.370  -0.220  -0.171  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        3.774  -0.326  -0.135  0.00  0.00    -0.042 A 
ATOM     18  C   LIG    1        4.393  -1.619   0.336  0.00  0.00    +0.035 C 
ATOM     19  C   LIG    1        5.872  -1.745  -0.021  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        6.616  -0.463   0.330  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        6.069   0.711  -0.481  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1        4.562   0.782  -0.481  0.00  0.00    -0.044 A 
ATOM     23  C   LIG    1        3.932   1.961  -0.892  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        2.537   2.045  -0.932  0.00  0.00    +0.023 A 
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  25
ATOM     25  C   LIG    1       -2.123  -2.876   0.421  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -2.232  -3.206   1.885  0.00  0.00    +0.010 C 
ATOM     27  C   LIG    1       -1.169  -2.787   2.871  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1       -2.551  -2.200   2.967  0.00  0.00    +0.005 C 
ENDBRANCH  25  26
ENDBRANCH   8  25
TORSDOF 4