REMARK  Name = BDB032192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.998   0.707  -0.503  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1        2.269   0.274  -0.157  0.00  0.00    +0.084 A 
ATOM      3  C   LIG    1        3.353   0.960   0.565  0.00  0.00    +0.251 C 
ATOM      4  N   LIG    1        4.461   0.117   0.541  0.00  0.00    -0.281 N 
ATOM      5  C   LIG    1        4.114  -1.202   0.029  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1        3.275   2.048   1.102  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1        2.730  -1.001  -0.488  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        1.925  -1.885  -1.184  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1        0.649  -1.457  -1.564  0.00  0.00    +0.011 A 
ATOM     10  C   LIG    1        0.180  -0.158  -1.249  0.00  0.00    +0.032 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.663   0.375   1.343  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.686  -0.770   1.262  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        6.514  -1.855   1.815  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.746  -0.595   0.404  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        8.357  -1.393   0.294  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        7.909   0.403  -0.523  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        8.745   0.298  -1.416  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        6.969   1.579  -0.427  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        6.367   1.685   0.965  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  21
ATOM     20  C   LIG    1        0.049   2.044   1.110  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        0.568   1.971  -0.219  0.00  0.00    -0.494 OA
ENDBRANCH   1  21
BRANCH  10  22
ATOM     22  C   LIG    1       -1.203   0.250  -1.695  0.00  0.00    +0.273 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.138  -0.287  -0.754  0.00  0.00    -0.445 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.435  -0.031  -1.065  0.00  0.00    +0.405 C 
ATOM     25  N   LIG    1       -4.215  -0.578  -0.086  0.00  0.00    -0.251 N 
ATOM     26  H   LIG    1       -3.683  -1.041   0.638  0.00  0.00    +0.158 HD
ATOM     27  O   LIG    1       -3.791   0.581  -2.058  0.00  0.00    -0.226 OA
BRANCH  25  28
ATOM     28  C   LIG    1       -5.616  -0.568   0.024  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1       -6.178  -1.208   1.133  0.00  0.00    +0.043 A 
ATOM     30  C   LIG    1       -7.566  -1.239   1.311  0.00  0.00    +0.046 A 
ATOM     31 CL   LIG    1       -8.181  -2.051   2.708  0.00  0.00    -0.083 Cl
ATOM     32  C   LIG    1       -8.422  -0.631   0.383  0.00  0.00    -0.032 A 
ATOM     33  C   LIG    1       -9.915  -0.645   0.544  0.00  0.00    +0.045 C 
ATOM     34  C   LIG    1       -7.851   0.009  -0.726  0.00  0.00    +0.006 A 
ATOM     35  C   LIG    1       -6.463   0.040  -0.903  0.00  0.00    +0.024 A 
ENDBRANCH  25  28
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  10  22
TORSDOF 6