REMARK  Name = BDB019153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.056  -0.614   1.060  0.00  0.00    +0.120 C 
ATOM      2  C   LIG    1       -0.912  -2.059   0.547  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1        0.578  -2.186   0.205  0.00  0.00    +0.151 C 
ATOM      4  C   LIG    1        1.256  -1.376   1.305  0.00  0.00    +0.055 C 
ATOM      5  C   LIG    1        0.370  -0.127   1.407  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        2.758  -1.130   1.121  0.00  0.00    +0.155 C 
ATOM      7  C   LIG    1        3.196  -0.338  -0.067  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1        3.689   0.890   0.351  0.00  0.00    -0.015 A 
ATOM      9  C   LIG    1        4.154   1.830  -0.555  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1        4.140   1.498  -1.909  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        3.676   0.246  -2.338  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1        4.710   2.634  -3.070  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1        3.621   0.978   1.829  0.00  0.00    +0.196 C 
ATOM     14  C   LIG    1        3.207  -0.686  -1.409  0.00  0.00    +0.008 A 
ATOM     15  O   LIG    1        3.220  -0.343   2.258  0.00  0.00    -0.367 OA
ENDBRANCH   4   6
BRANCH   1  20
ATOM     16  C   LIG    1       -4.808   1.685  -0.979  0.00  0.00    +0.129 A 
ATOM     17  C   LIG    1       -3.468   1.281  -0.897  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1       -2.289   1.459  -1.672  0.00  0.00    +0.032 A 
ATOM     19  C   LIG    1       -1.269   0.770  -1.050  0.00  0.00    +0.089 A 
ATOM     20  N   LIG    1       -1.773   0.216   0.103  0.00  0.00    -0.326 N 
ATOM     21  C   LIG    1       -3.119   0.491   0.190  0.00  0.00    +0.146 A 
ATOM     22  N   LIG    1       -3.944   0.060   1.159  0.00  0.00    -0.218 NA
ATOM     23  C   LIG    1       -5.196   0.513   0.977  0.00  0.00    +0.225 A 
ATOM     24  N   LIG    1       -5.668   1.283  -0.023  0.00  0.00    -0.220 NA
BRANCH  16  25
ATOM     25  N   LIG    1       -5.316   2.464  -2.007  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -6.327   2.409  -2.035  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -4.834   2.376  -2.890  0.00  0.00    +0.144 HD
ENDBRANCH  16  25
ENDBRANCH   1  20
BRANCH   2  28
ATOM     28  O   LIG    1       -1.226  -3.004   1.583  0.00  0.00    -0.387 OA
ATOM     29  H   LIG    1       -2.177  -2.900   1.779  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1        1.004  -3.538   0.211  0.00  0.00    -0.389 OA
ATOM     31  H   LIG    1        0.458  -3.978   0.896  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 5