REMARK  Name = BDB009209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.331   0.231   2.099  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.806  -0.906   1.468  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.112  -1.738   2.131  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.451  -1.447   3.459  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.093  -0.334   4.103  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.978   0.504   3.425  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.118   1.196   0.027  0.00  0.00    -0.278 N 
ATOM      8  H   LIG    1        1.221   0.879  -0.333  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.274   1.155   1.395  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        3.035   1.835   2.071  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        5.110   2.055   0.250  0.00  0.00    +0.046 C 
ATOM     12  C   LIG    1        4.159   2.381  -0.866  0.00  0.00    -0.026 A 
ATOM     13  C   LIG    1        2.831   1.937  -0.943  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        2.095   2.196  -2.121  0.00  0.00    +0.138 A 
ATOM     15  C   LIG    1        2.616   2.947  -3.170  0.00  0.00    +0.047 A 
ATOM     16  C   LIG    1        3.906   3.448  -3.060  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1        4.668   3.164  -1.924  0.00  0.00    +0.005 A 
BRANCH  14  18
ATOM     18  O   LIG    1        0.816   1.692  -2.205  0.00  0.00    -0.505 OA
ATOM     19  H   LIG    1        0.443   1.948  -3.065  0.00  0.00    +0.292 HD
ENDBRANCH  14  18
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -0.692  -2.950   1.438  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.230  -2.635   0.043  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -2.514  -1.882  -0.105  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -3.360  -1.552   1.093  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -4.773  -1.086   0.728  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.744  -0.102  -0.434  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.102  -0.732  -1.672  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -2.865  -1.524  -1.353  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -2.015  -1.918  -2.505  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -2.288  -1.585  -3.654  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -0.921  -2.684  -2.207  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -0.321  -2.954  -2.980  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -0.495  -3.017  -0.960  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5