REMARK  Name = BDB062413
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        3.322  -2.978   2.333  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.278  -2.392   2.109  0.00  0.00    +0.251 C 
ATOM      3  C   LIG    1        2.039  -1.249   1.143  0.00  0.00    +0.069 C 
ATOM      4  C   LIG    1        3.064  -0.878   0.355  0.00  0.00    +0.074 C 
ATOM      5  C   LIG    1        3.078   0.223  -0.710  0.00  0.00    +0.133 C 
ATOM      6  N   LIG    1        2.037   0.836  -1.171  0.00  0.00    -0.085 NA
ATOM      7  C   LIG    1        4.512   0.365  -1.089  0.00  0.00    +0.026 A 
ATOM      8  C   LIG    1        5.208  -0.618  -0.375  0.00  0.00    +0.041 A 
ATOM      9  C   LIG    1        6.570  -0.784  -0.537  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        7.247   0.086  -1.396  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        6.553   1.090  -2.091  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.170   1.234  -1.943  0.00  0.00    +0.012 A 
ATOM     13  N   LIG    1        4.349  -1.405   0.377  0.00  0.00    -0.312 N 
ATOM     14  H   LIG    1        4.640  -1.988   1.156  0.00  0.00    +0.152 HD
ATOM     15  C   LIG    1        0.635  -0.841   1.327  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        0.096  -1.732   2.271  0.00  0.00    +0.042 A 
ATOM     17  C   LIG    1       -1.213  -1.680   2.719  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -2.028  -0.679   2.196  0.00  0.00    +0.015 A 
ATOM     19  C   LIG    1       -1.509   0.231   1.255  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -0.169   0.172   0.837  0.00  0.00    +0.023 A 
ATOM     21  N   LIG    1        1.059  -2.631   2.709  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        0.930  -3.342   3.413  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  19  23
ATOM     23  C   LIG    1       -2.367   1.320   0.739  0.00  0.00    +0.247 C 
ATOM     24  N   LIG    1       -3.578   0.983   0.120  0.00  0.00    -0.298 N 
ATOM     25  C   LIG    1       -4.396   2.101  -0.346  0.00  0.00    +0.108 C 
ATOM     26  C   LIG    1       -5.868   1.719  -0.470  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -6.048   0.460  -1.311  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -5.197  -0.677  -0.754  0.00  0.00    +0.019 C 
ATOM     29  C   LIG    1       -3.733  -0.264  -0.634  0.00  0.00    +0.108 C 
ATOM     30  O   LIG    1       -1.984   2.475   0.910  0.00  0.00    -0.270 OA
ENDBRANCH  19  23
BRANCH   6  31
ATOM     31  O   LIG    1        2.333   1.780  -2.152  0.00  0.00    -0.409 OA
ATOM     32  H   LIG    1        1.458   2.166  -2.343  0.00  0.00    +0.328 HD
ENDBRANCH   6  31
TORSDOF 2