REMARK  Name = BDB062314
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.744  -3.895  -0.064  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -2.398  -2.482  -0.105  0.00  0.00    -0.308 N 
ATOM      3  C   LIG    1       -1.034  -2.078  -0.057  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -0.710  -0.709  -0.078  0.00  0.00    +0.025 A 
ATOM      5  C   LIG    1        0.648  -0.343   0.064  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1        1.678  -1.286   0.174  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        1.334  -2.635   0.149  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -1.790   0.310  -0.221  0.00  0.00    +0.084 A 
ATOM      9  N   LIG    1       -1.419   1.645  -0.422  0.00  0.00    -0.340 N 
ATOM     10  H   LIG    1       -0.453   1.778  -0.693  0.00  0.00    +0.146 HD
ATOM     11  C   LIG    1       -1.933   2.743   0.382  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.412   2.990   0.140  0.00  0.00    +0.060 C 
ATOM     13  C   LIG    1       -4.250   1.789   0.546  0.00  0.00    +0.231 C 
ATOM     14  O   LIG    1       -4.153   0.747  -0.420  0.00  0.00    -0.485 OA
ATOM     15  C   LIG    1       -3.076  -0.107  -0.218  0.00  0.00    +0.207 A 
ATOM     16  C   LIG    1       -0.003  -3.026   0.045  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -3.434  -1.560  -0.124  0.00  0.00    +0.295 A 
ATOM     18  O   LIG    1       -4.622  -1.888  -0.072  0.00  0.00    -0.264 OA
ENDROOT
BRANCH   6  19
ATOM     19  N   LIG    1        3.037  -0.929   0.254  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        3.602  -1.618   0.747  0.00  0.00    +0.152 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.736   0.202  -0.230  0.00  0.00    +0.053 A 
ATOM     22  C   LIG    1        4.887   0.682   0.422  0.00  0.00    +0.110 A 
ATOM     23  C   LIG    1        5.493   1.827  -0.079  0.00  0.00    +0.148 A 
ATOM     24 CL   LIG    1        6.905   2.529   0.618  0.00  0.00    -0.061 Cl
ATOM     25  N   LIG    1        5.051   2.517  -1.154  0.00  0.00    -0.242 NA
ATOM     26  C   LIG    1        3.951   2.042  -1.766  0.00  0.00    +0.114 A 
ATOM     27  C   LIG    1        3.269   0.914  -1.343  0.00  0.00    +0.044 A 
BRANCH  22  28
ATOM     28  C   LIG    1        5.417   0.016   1.569  0.00  0.00    +0.104 C 
ATOM     29  N   LIG    1        5.815  -0.575   2.485  0.00  0.00    -0.191 NA
ENDBRANCH  22  28
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3