REMARK  Name = BDB048849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.731   0.442   0.080  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -1.120  -0.168  -1.188  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        0.394   0.128  -1.349  0.00  0.00    +0.058 C 
ATOM      4  C   LIG    1        0.857   1.283  -0.437  0.00  0.00    +0.019 C 
ATOM      5  C   LIG    1       -0.169   2.412  -0.435  0.00  0.00    +0.002 C 
ATOM      6  C   LIG    1       -1.528   1.965   0.106  0.00  0.00    +0.011 C 
ENDROOT
BRANCH   1  15
ATOM      7  O   LIG    1       -4.806  -3.034   0.917  0.00  0.00    -0.267 OA
ATOM      8  C   LIG    1       -4.650  -1.850   0.643  0.00  0.00    +0.259 A 
ATOM      9  C   LIG    1       -5.781  -0.930   0.446  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1       -5.481   0.399   0.140  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -6.536   1.293  -0.053  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -7.862   0.864   0.060  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -8.146  -0.468   0.367  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -4.162   0.869   0.018  0.00  0.00    -0.233 NA
ATOM     15  C   LIG    1       -3.194   0.031   0.203  0.00  0.00    +0.114 A 
ATOM     16  C   LIG    1       -7.103  -1.373   0.561  0.00  0.00    +0.015 A 
ATOM     17  N   LIG    1       -3.405  -1.293   0.501  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1       -2.628  -1.926   0.631  0.00  0.00    +0.170 HD
ENDBRANCH   1  15
BRANCH   3  19
ATOM     19  N   LIG    1        1.147  -1.137  -1.274  0.00  0.00    -0.295 NA
ATOM     20  C   LIG    1        2.355  -1.186  -2.109  0.00  0.00    +0.089 C 
ATOM     21  C   LIG    1        3.582  -0.472  -1.518  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1        3.739  -0.726  -0.038  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1        2.735  -1.282   0.665  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1        1.412  -1.668   0.065  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1        5.014  -0.347   0.604  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1        5.609   0.894   0.337  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        6.823   1.248   0.933  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        7.460   0.364   1.800  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.886  -0.876   2.070  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        5.672  -1.229   1.475  0.00  0.00    +0.008 A 
ENDBRANCH  22  25
ENDBRANCH   3  19
TORSDOF 3