REMARK  Name = BDB022379
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.666  -0.756   1.011  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.242  -0.333   0.903  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.503  -0.045   2.065  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1        0.818   0.409   1.936  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.420   0.537   0.680  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.743   0.178  -0.481  0.00  0.00    +0.033 A 
ATOM      7  N   LIG    1       -1.097  -0.240   3.347  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.335   0.028   4.556  0.00  0.00    +0.152 C 
ATOM      9  C   LIG    1       -2.377  -0.748   3.482  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1       -2.923  -0.995   4.556  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.595  -0.231  -0.349  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.146  -0.978   2.242  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -3.401  -0.884  -0.167  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1       -3.129  -0.190  -0.858  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -5.038  -1.897  -1.631  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -4.823  -1.205  -0.285  0.00  0.00    +0.070 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -5.618   0.061  -0.080  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -5.613   1.189  -1.087  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -6.875   0.408  -0.844  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        1.288   0.305  -1.775  0.00  0.00    -0.298 N 
ATOM     21  H   LIG    1        0.727  -0.162  -2.481  0.00  0.00    +0.154 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.640   0.374  -2.204  0.00  0.00    +0.147 A 
ATOM     23  C   LIG    1        2.903   0.618  -3.547  0.00  0.00    +0.099 A 
ATOM     24 CL   LIG    1        1.669   0.782  -4.735  0.00  0.00    -0.078 Cl
ATOM     25  C   LIG    1        4.227   0.709  -3.903  0.00  0.00    +0.137 A 
ATOM     26  N   LIG    1        5.243   0.579  -3.030  0.00  0.00    -0.221 NA
ATOM     27  C   LIG    1        4.918   0.347  -1.748  0.00  0.00    +0.220 A 
ATOM     28  N   LIG    1        3.648   0.249  -1.316  0.00  0.00    -0.198 NA
BRANCH  27  29
ATOM     29  N   LIG    1        5.949   0.190  -0.818  0.00  0.00    -0.299 N 
ATOM     30  C   LIG    1        7.250   0.778  -0.923  0.00  0.00    +0.109 C 
ATOM     31  C   LIG    1        7.380   0.537   0.586  0.00  0.00    +0.038 C 
ATOM     32  C   LIG    1        5.847   0.474   0.580  0.00  0.00    +0.109 C 
ENDBRANCH  27  29
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6