REMARK  Name = BDB047815
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.031   1.984   0.819  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        1.321   1.562   0.420  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        2.388   2.460   0.533  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        2.176   3.754   1.014  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1        0.893   4.189   1.354  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -0.168   3.279   1.302  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.480   0.240  -0.070  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1        1.780   0.228  -1.524  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1        2.180  -1.198  -1.959  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        3.434  -1.672  -1.329  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        3.439  -3.129  -1.230  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        3.662  -1.028  -0.016  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        2.388  -0.602   0.749  0.00  0.00    +0.120 C 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -2.328   1.139   0.983  0.00  0.00    +0.250 C 
ATOM     15  N   LIG    1       -0.988   1.013   0.709  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1       -0.626   0.130   0.352  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -2.907   2.143   1.381  0.00  0.00    -0.270 OA
BRANCH  14  22
ATOM     18  C   LIG    1       -3.813  -3.121  -1.431  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1       -3.846  -2.155  -0.280  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -3.058  -0.984  -0.256  0.00  0.00    +0.059 A 
ATOM     21 CL   LIG    1       -2.051  -0.629  -1.625  0.00  0.00    -0.082 Cl
ATOM     22  C   LIG    1       -3.125  -0.110   0.846  0.00  0.00    +0.056 A 
ATOM     23  C   LIG    1       -4.005  -0.391   1.905  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -4.788  -1.540   1.882  0.00  0.00    +0.039 A 
ATOM     25  C   LIG    1       -4.700  -2.408   0.800  0.00  0.00    +0.128 A 
ATOM     26  F   LIG    1       -5.465  -3.509   0.805  0.00  0.00    -0.205 F 
ENDBRANCH  14  22
ENDBRANCH   1  15
BRANCH   5  27
ATOM     27  N   LIG    1        0.714   5.447   1.947  0.00  0.00    -0.358 N 
ATOM     28  H   LIG    1       -0.243   5.785   1.890  0.00  0.00    +0.142 HD
ATOM     29  H   LIG    1        1.388   6.143   1.646  0.00  0.00    +0.142 HD
ENDBRANCH   5  27
TORSDOF 4