REMARK  Name = BDB059222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.622   3.640   0.004  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.331   2.293   0.102  0.00  0.00    +0.163 A 
ATOM      3  N   LIG    1        1.554   1.621   0.125  0.00  0.00    -0.200 N 
ATOM      4  C   LIG    1        1.618   0.210   0.225  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1        0.456  -0.464   0.293  0.00  0.00    +0.087 A 
ATOM      6  C   LIG    1       -0.822   0.323   0.256  0.00  0.00    +0.124 A 
ATOM      7  N   LIG    1        2.605   2.487   0.017  0.00  0.00    -0.171 NA
ATOM      8  N   LIG    1       -0.861   1.631   0.169  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        2.032   3.688  -0.042  0.00  0.00    +0.141 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -0.170   5.727   1.144  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -0.350   4.781  -0.045  0.00  0.00    +0.018 C 
ATOM     12  C   LIG    1       -0.251   5.551  -1.363  0.00  0.00    +0.012 C 
ENDBRANCH   1  11
BRANCH   6  13
ATOM     13  N   LIG    1       -2.054  -0.286   0.314  0.00  0.00    -0.328 N 
ATOM     14  H   LIG    1       -2.780   0.408   0.161  0.00  0.00    +0.147 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.333  -1.623  -0.186  0.00  0.00    +0.113 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -3.814  -2.039  -0.061  0.00  0.00    +0.023 C 
ATOM     17  C   LIG    1       -4.358  -1.894   1.361  0.00  0.00    +0.091 C 
ATOM     18  N   LIG    1       -5.821  -1.859   1.219  0.00  0.00    -0.315 NA
ATOM     19  H   LIG    1       -6.207  -2.799   1.299  0.00  0.00    +0.122 HD
ATOM     20  C   LIG    1       -6.119  -1.316  -0.113  0.00  0.00    +0.081 C 
ATOM     21  C   LIG    1       -4.788  -1.145  -0.839  0.00  0.00    +0.027 C 
BRANCH  16  22
ATOM     22  C   LIG    1       -3.951  -3.495  -0.574  0.00  0.00    +0.165 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -3.103  -4.390   0.136  0.00  0.00    -0.394 OA
ATOM     24  H   LIG    1       -3.571  -4.669   0.943  0.00  0.00    +0.209 HD
ENDBRANCH  22  23
ENDBRANCH  16  22
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   4  25
ATOM     25  N   LIG    1        2.889  -0.369   0.256  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        3.609   0.335   0.057  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1        3.221  -1.696  -0.223  0.00  0.00    +0.138 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.702  -1.938  -0.070  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        5.256  -2.153   1.201  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1        6.627  -2.368   1.350  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.458  -2.366   0.232  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.921  -2.143  -1.035  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        5.550  -1.927  -1.186  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   4  25
TORSDOF 9