REMARK  Name = BDB020918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.288  -0.047   0.040  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -0.283   1.024   0.245  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1        0.643   1.196  -0.975  0.00  0.00    +0.126 C 
ATOM      4  N   LIG    1        1.278  -0.064  -1.385  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1        2.582  -0.048  -1.842  0.00  0.00    +0.216 C 
ATOM      6  O   LIG    1        3.217   1.000  -1.981  0.00  0.00    -0.276 OA
ATOM      7  C   LIG    1        0.473  -1.280  -1.196  0.00  0.00    +0.126 C 
ATOM      8  C   LIG    1       -1.033  -0.979  -1.070  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1  13
ATOM      9  C   LIG    1       -5.276   0.770   1.256  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -4.237   0.857   2.182  0.00  0.00    +0.035 A 
ATOM     11  C   LIG    1       -2.918   0.583   1.795  0.00  0.00    +0.063 A 
ATOM     12 CL   LIG    1       -1.730   0.647   3.057  0.00  0.00    -0.082 Cl
ATOM     13  C   LIG    1       -2.595   0.210   0.465  0.00  0.00    +0.048 A 
ATOM     14  C   LIG    1       -3.675   0.094  -0.431  0.00  0.00    +0.025 A 
ATOM     15  C   LIG    1       -4.995   0.371  -0.050  0.00  0.00    +0.015 A 
BRANCH   9  17
ATOM     16  O   LIG    1       -6.975   0.870   2.878  0.00  0.00    -0.270 OA
ATOM     17  C   LIG    1       -6.660   1.070   1.710  0.00  0.00    +0.244 C 
ATOM     18  N   LIG    1       -7.509   1.603   0.758  0.00  0.00    -0.308 N 
ATOM     19  H   LIG    1       -7.128   1.912  -0.126  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -8.851   1.981   1.072  0.00  0.00    +0.073 C 
ATOM     21  C   LIG    1       -9.997   1.077   0.714  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -9.811   2.375  -0.017  0.00  0.00    +0.024 C 
ENDBRANCH  18  20
ENDBRANCH   9  17
ENDBRANCH   1  13
BRANCH   5  23
ATOM     23  C   LIG    1        3.219  -1.394  -2.155  0.00  0.00    +0.103 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.679  -1.263  -2.583  0.00  0.00    +0.083 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.577  -1.045  -1.387  0.00  0.00    +0.111 A 
ATOM     26  N   LIG    1        5.591   0.219  -0.864  0.00  0.00    -0.310 N 
ATOM     27  H   LIG    1        4.982   0.938  -1.252  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1        6.326   0.573   0.238  0.00  0.00    +0.259 A 
ATOM     29  O   LIG    1        6.301   1.700   0.718  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1        7.150  -0.502   0.817  0.00  0.00    +0.065 A 
ATOM     31  C   LIG    1        7.083  -1.762   0.213  0.00  0.00    +0.078 A 
ATOM     32  C   LIG    1        7.856  -2.796   0.743  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        8.677  -2.575   1.854  0.00  0.00    +0.002 A 
ATOM     34  C   LIG    1        8.729  -1.313   2.447  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        7.965  -0.269   1.929  0.00  0.00    +0.015 A 
ATOM     36  N   LIG    1        6.268  -2.025  -0.902  0.00  0.00    -0.234 NA
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   5  23
TORSDOF 6