REMARK  Name = BDB032023
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.791   0.738  -0.280  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.493   0.358  -0.147  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.385   1.191  -0.685  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.781   1.052  -0.704  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -3.336   2.141  -1.410  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -2.253   2.960  -1.790  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -2.334   4.175  -2.547  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.517   2.337  -1.649  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.078   2.357  -1.345  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.236   2.677  -1.443  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.182   1.873  -0.911  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -3.526  -0.067  -0.170  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -3.297  -0.290   1.330  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -4.243  -1.350   1.900  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -4.675  -2.403   0.874  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1       -3.605  -2.630  -0.187  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -3.305  -1.357  -0.982  0.00  0.00    +0.028 C 
BRANCH  15  18
ATOM     18  O   LIG    1       -4.940  -3.633   1.535  0.00  0.00    -0.392 OA
ATOM     19  H   LIG    1       -5.645  -3.472   2.186  0.00  0.00    +0.210 HD
ENDBRANCH  15  18
ENDBRANCH   4  12
BRANCH   1  20
ATOM     20  N   LIG    1        1.710  -0.145   0.281  0.00  0.00    -0.283 N 
ATOM     21  H   LIG    1        1.196  -0.912   0.688  0.00  0.00    +0.155 HD
BRANCH  20  24
ATOM     22  C   LIG    1        2.966  -2.483   1.472  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1        3.741  -1.280   1.003  0.00  0.00    -0.027 A 
ATOM     24  C   LIG    1        3.103  -0.156   0.434  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        3.918   0.906   0.017  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        5.320   0.877   0.163  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        5.943  -0.238   0.736  0.00  0.00    +0.094 A 
ATOM     28  N   LIG    1        7.278  -0.282   0.884  0.00  0.00    -0.149 NA
ATOM     29  N   LIG    1        8.065   0.762   0.479  0.00  0.00    -0.157 NA
ATOM     30  C   LIG    1        7.490   1.843  -0.075  0.00  0.00    +0.135 A 
ATOM     31  C   LIG    1        6.126   1.942  -0.250  0.00  0.00    +0.031 A 
ATOM     32  C   LIG    1        5.144  -1.296   1.145  0.00  0.00    +0.035 A 
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 4