REMARK  Name = BDB009191
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.613  -1.393   1.155  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.630  -1.844   0.690  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.775  -1.748   1.495  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.646  -1.226   2.790  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.405  -0.797   3.266  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.726  -0.881   2.453  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.722  -0.489   0.372  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        2.481   0.283   0.978  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.791  -1.504   0.246  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.821  -2.437  -0.548  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        5.913   1.032  -0.737  0.00  0.00    -0.046 A 
ATOM     12  C   LIG    1        4.686   0.812  -0.091  0.00  0.00    +0.027 A 
ATOM     13  C   LIG    1        3.942  -0.354  -0.325  0.00  0.00    +0.034 A 
ATOM     14  C   LIG    1        4.446  -1.309  -1.207  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1        5.669  -1.103  -1.850  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1        6.401   0.060  -1.616  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.649   2.109   0.718  0.00  0.00    +0.009 C 
ATOM     18  C   LIG    1        6.708   2.284  -0.465  0.00  0.00    +0.032 C 
ENDBRANCH  11  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  19
ATOM     19  C   LIG    1       -3.110  -2.247   0.989  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.217  -1.199   1.060  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -4.399  -0.235  -0.072  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -3.491  -0.269  -1.269  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -3.627   0.961  -2.173  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -5.088   1.345  -2.368  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.758   1.646  -1.026  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -5.409   0.644   0.040  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -6.258   0.654   1.258  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -7.173   1.457   1.403  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -5.955  -0.285   2.205  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -6.527  -0.300   3.043  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -4.961  -1.208   2.127  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 5