REMARK  Name = BDB014103
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.633   0.599  -1.333  0.00  0.00    -0.263 N 
ATOM      2  C   LIG    1        1.375   0.173  -1.088  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        0.069   0.742  -0.723  0.00  0.00    +0.161 C 
ATOM      4  N   LIG    1       -0.765  -0.517  -0.763  0.00  0.00    -0.253 N 
ATOM      5  C   LIG    1        0.035  -1.671  -1.048  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -0.288  -2.844  -1.136  0.00  0.00    -0.269 OA
ATOM      7  C   LIG    1        1.356  -1.175  -1.259  0.00  0.00    +0.083 A 
ATOM      8  C   LIG    1        2.653  -1.524  -1.594  0.00  0.00    +0.079 A 
ATOM      9  N   LIG    1        3.449  -0.442  -1.666  0.00  0.00    -0.175 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -2.152  -0.535  -0.590  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -2.871  -1.673  -0.491  0.00  0.00    +0.118 A 
ATOM     12  N   LIG    1       -4.248  -1.621  -0.309  0.00  0.00    -0.285 N 
ATOM     13  C   LIG    1       -4.966  -0.445  -0.218  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1       -6.241  -0.719  -0.044  0.00  0.00    -0.129 NA
ATOM     15  N   LIG    1       -6.379  -2.086  -0.018  0.00  0.00    -0.134 NA
ATOM     16  C   LIG    1       -4.255   0.790  -0.329  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1       -4.951   2.124  -0.256  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -5.185  -2.624  -0.176  0.00  0.00    +0.135 A 
ATOM     19  C   LIG    1       -4.869  -4.069  -0.212  0.00  0.00    +0.088 C 
ATOM     20  C   LIG    1       -2.912   0.724  -0.511  0.00  0.00    +0.032 A 
ENDBRANCH   4  10
BRANCH   3  21
ATOM     21  C   LIG    1        0.077   1.420   0.636  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1        0.234   0.690   1.829  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1        0.249   1.338   3.066  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1        0.112   2.722   3.125  0.00  0.00    +0.041 A 
ATOM     25 CL   LIG    1        0.142   3.522   4.647  0.00  0.00    -0.084 Cl
ATOM     26  C   LIG    1       -0.041   3.465   1.957  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.055   2.817   0.718  0.00  0.00    +0.007 A 
ENDBRANCH   3  21
BRANCH   8  28
ATOM     28  C   LIG    1        3.139  -2.961  -1.897  0.00  0.00    +0.040 C 
ATOM     29  C   LIG    1        3.128  -3.988  -0.793  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1        4.433  -3.445  -1.295  0.00  0.00    +0.010 C 
ENDBRANCH   8  28
BRANCH   1  31
ATOM     31  C   LIG    1        3.158   1.950  -1.377  0.00  0.00    +0.172 C 
BRANCH  31  32
ATOM     32  C   LIG    1        4.082   2.245  -0.203  0.00  0.00    +0.182 C 
BRANCH  32  34
ATOM     33  C   LIG    1        4.097   2.790   2.095  0.00  0.00    +0.194 C 
ATOM     34  O   LIG    1        3.295   2.606   0.935  0.00  0.00    -0.381 OA
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   1  31
TORSDOF 6