REMARK  Name = BDB009215
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.757   0.137  -0.282  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.392  -0.024  -1.070  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.265   1.051  -1.293  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.955   2.298  -0.734  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.181   2.460   0.062  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.034   1.381   0.297  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.976  -0.766   0.057  0.00  0.00    -0.279 N 
ATOM      8  H   LIG    1        3.290   0.185  -0.109  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        1.633  -1.050  -0.060  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        1.109  -2.158  -0.030  0.00  0.00    -0.270 OA
BRANCH   7  12
ATOM     11  C   LIG    1        5.344  -1.113   0.308  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1        4.042  -1.661   0.301  0.00  0.00    +0.076 A 
ATOM     13  C   LIG    1        3.867  -3.026   0.538  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1        4.972  -3.845   0.776  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.256  -3.306   0.779  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        6.444  -1.942   0.547  0.00  0.00    +0.047 A 
BRANCH  11  17
ATOM     17  O   LIG    1        5.413   0.241   0.072  0.00  0.00    -0.490 OA
BRANCH  17  19
ATOM     18  C   LIG    1        6.540   2.313  -0.249  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        6.711   0.833   0.042  0.00  0.00    +0.226 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   7  12
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.494   0.866  -2.155  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.784   1.336  -1.488  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -4.514   0.417  -0.558  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.981  -0.953  -0.246  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -4.683  -1.628   0.936  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -6.191  -1.421   0.875  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.539   0.068   0.882  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -5.661   0.880  -0.030  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -6.127   2.253  -0.347  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -7.157   2.714   0.133  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -5.337   2.970  -1.203  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -5.641   3.909  -1.436  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -4.185   2.538  -1.781  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 6