REMARK  Name = BDB008235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.278   1.157   0.886  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1       -0.653   0.179   0.215  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        0.665  -0.011   0.407  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        1.403   0.771   1.287  0.00  0.00    +0.052 A 
ATOM      5  C   LIG    1        0.767   1.794   1.994  0.00  0.00    -0.010 A 
ATOM      6  C   LIG    1       -0.602   1.980   1.780  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.503   2.642   2.947  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        2.510   3.541   2.552  0.00  0.00    +0.077 A 
ATOM      9  C   LIG    1        3.143   4.299   3.530  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        2.852   4.229   4.849  0.00  0.00    -0.262 NA
ATOM     11  C   LIG    1        1.884   3.365   5.213  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1        1.194   2.567   4.315  0.00  0.00    +0.029 A 
BRANCH   8  13
ATOM     13  C   LIG    1        2.906   3.712   1.188  0.00  0.00    +0.101 C 
ATOM     14  N   LIG    1        3.244   3.840   0.086  0.00  0.00    -0.191 NA
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  16
ATOM     15  C   LIG    1       -3.588   0.784  -0.047  0.00  0.00    +0.235 C 
ATOM     16  N   LIG    1       -2.641   1.400   0.720  0.00  0.00    -0.269 N 
ATOM     17  H   LIG    1       -3.052   2.150   1.257  0.00  0.00    +0.156 HD
ATOM     18  O   LIG    1       -4.726   1.266   0.040  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1       -3.243  -0.396  -0.985  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1       -2.646   0.122  -2.294  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1       -5.430  -0.820  -2.091  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -4.405  -1.311  -1.181  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -4.038  -2.187  -1.553  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  N   LIG    1        1.354  -1.016  -0.275  0.00  0.00    -0.265 N 
ATOM     25  H   LIG    1        2.351  -1.116  -0.115  0.00  0.00    +0.157 HD
ATOM     26  C   LIG    1        0.827  -1.909  -1.182  0.00  0.00    +0.268 C 
ATOM     27  O   LIG    1       -0.333  -2.010  -1.558  0.00  0.00    -0.268 OA
BRANCH  26  28
ATOM     28  C   LIG    1        1.865  -2.844  -1.730  0.00  0.00    +0.126 A 
ATOM     29  N   LIG    1        3.134  -2.676  -1.249  0.00  0.00    -0.249 NA
ATOM     30  C   LIG    1        4.075  -3.519  -1.745  0.00  0.00    +0.131 A 
ATOM     31  C   LIG    1        3.814  -4.509  -2.684  0.00  0.00    +0.059 A 
ATOM     32 CL   LIG    1        5.067  -5.532  -3.254  0.00  0.00    -0.082 Cl
ATOM     33  C   LIG    1        2.512  -4.655  -3.153  0.00  0.00    +0.024 A 
ATOM     34  C   LIG    1        1.515  -3.808  -2.670  0.00  0.00    +0.034 A 
ENDBRANCH  26  28
ENDBRANCH   3  24
TORSDOF 7