REMARK  Name = BDB022250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.666   1.070  -0.104  0.00  0.00    +0.043 A 
ATOM      2  C   LIG    1       -0.185   1.147  -0.027  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        0.445   2.356   0.290  0.00  0.00    +0.145 A 
ATOM      4  N   LIG    1        1.791   2.475   0.406  0.00  0.00    -0.235 NA
ATOM      5  C   LIG    1        2.545   1.377   0.171  0.00  0.00    +0.136 A 
ATOM      6  C   LIG    1        2.042   0.136  -0.192  0.00  0.00    +0.050 A 
ATOM      7  N   LIG    1       -0.333   3.523   0.473  0.00  0.00    -0.296 N 
ATOM      8  C   LIG    1        0.364   4.761   0.771  0.00  0.00    +0.154 C 
ATOM      9  C   LIG    1       -1.698   3.522   0.313  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1       -2.416   4.516   0.410  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        0.649   0.043  -0.285  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -2.341   2.221   0.027  0.00  0.00    +0.094 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -2.252  -0.176  -0.307  0.00  0.00    -0.340 N 
ATOM     14  H   LIG    1       -1.717  -0.944   0.088  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.228  -0.591   1.072  0.00  0.00    +0.028 C 
ATOM     16  C   LIG    1       -3.679  -0.487  -0.349  0.00  0.00    +0.070 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.819  -1.736  -1.187  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1       -3.439  -3.108  -0.678  0.00  0.00    +0.005 C 
ATOM     19  C   LIG    1       -4.881  -2.788  -0.969  0.00  0.00    +0.005 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1        2.818  -1.016  -0.410  0.00  0.00    -0.312 N 
ATOM     21  H   LIG    1        2.463  -1.587  -1.177  0.00  0.00    +0.152 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.161  -1.317  -0.082  0.00  0.00    +0.054 A 
ATOM     23  C   LIG    1        4.938  -2.135  -0.925  0.00  0.00    +0.099 A 
ATOM     24 CL   LIG    1        4.239  -2.786  -2.370  0.00  0.00    -0.078 Cl
ATOM     25  C   LIG    1        6.256  -2.390  -0.559  0.00  0.00    +0.149 A 
ATOM     26 CL   LIG    1        7.323  -3.366  -1.495  0.00  0.00    -0.060 Cl
ATOM     27  N   LIG    1        6.843  -1.909   0.562  0.00  0.00    -0.242 NA
ATOM     28  C   LIG    1        6.077  -1.142   1.360  0.00  0.00    +0.114 A 
ATOM     29  C   LIG    1        4.756  -0.825   1.086  0.00  0.00    +0.044 A 
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5