REMARK  Name = BDB039153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.888  -2.353  -2.018  0.00  0.00    +0.403 C 
ATOM      2  N   LIG    1        4.477  -1.480  -1.026  0.00  0.00    -0.263 N 
ATOM      3  C   LIG    1        3.040  -1.329  -0.826  0.00  0.00    +0.148 C 
ATOM      4  C   LIG    1        2.645  -0.177   0.062  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1        3.608   0.639   0.703  0.00  0.00    -0.039 A 
ATOM      6  C   LIG    1        3.214   1.716   1.511  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1        1.866   2.006   1.737  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.926   1.179   1.115  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -0.452   1.162   1.109  0.00  0.00    -0.326 N 
ATOM     10  C   LIG    1       -0.869   0.124   0.302  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.172  -0.522  -0.186  0.00  0.00    -0.232 NA
ATOM     12  C   LIG    1        5.076   0.384   0.464  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        1.287   0.116   0.297  0.00  0.00    +0.094 A 
ATOM     14  C   LIG    1        5.341  -1.067   0.071  0.00  0.00    +0.116 C 
ATOM     15  O   LIG    1        4.130  -2.883  -2.823  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  10  16
ATOM     16  C   LIG    1       -2.307  -0.233   0.025  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1       -2.732  -1.403   0.932  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -3.896  -2.186   0.338  0.00  0.00    +0.015 C 
ATOM     19  C   LIG    1       -3.525  -2.823  -1.008  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -2.471  -2.022  -1.791  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.530  -0.528  -1.472  0.00  0.00    +0.012 C 
BRANCH  19  22
ATOM     22  C   LIG    1       -4.782  -3.002  -1.830  0.00  0.00    +0.308 C 
ATOM     23  O   LIG    1       -5.281  -2.191  -2.592  0.00  0.00    -0.251 OA
BRANCH  22  24
ATOM     24  O   LIG    1       -5.377  -4.190  -1.609  0.00  0.00    -0.480 OA
ATOM     25  H   LIG    1       -6.167  -4.173  -2.189  0.00  0.00    +0.295 HD
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH  10  16
BRANCH   1  27
ATOM     26  C   LIG    1        6.695  -3.454  -3.022  0.00  0.00    +0.282 C 
ATOM     27  O   LIG    1        6.233  -2.563  -2.006  0.00  0.00    -0.454 OA
ENDBRANCH   1  27
BRANCH   9  28
ATOM     28  C   LIG    1       -1.296   2.101   1.824  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.595   3.331   0.981  0.00  0.00    +0.165 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -2.524   4.220   1.651  0.00  0.00    -0.268 N 
ATOM     31  N   LIG    1       -2.164   4.802   2.812  0.00  0.00    -0.178 NA
ATOM     32  C   LIG    1       -3.235   5.537   3.136  0.00  0.00    +0.154 A 
ATOM     33  C   LIG    1       -4.269   5.414   2.192  0.00  0.00    +0.078 A 
ATOM     34 CL   LIG    1       -5.777   6.175   2.242  0.00  0.00    -0.080 Cl
ATOM     35  C   LIG    1       -3.781   4.553   1.240  0.00  0.00    +0.128 A 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7