REMARK  Name = BDB013085
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.405   0.167  -0.417  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.710   0.271  -1.654  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.634   0.549  -1.600  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.043   0.622  -2.900  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.029   0.380  -3.701  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.342   0.716  -0.402  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.696   0.629   0.730  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.079   0.158  -2.914  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.660   0.370   0.693  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1        5.601  -0.505  -0.114  0.00  0.00    +0.070 A 
ATOM     11  C   LIG    1        4.756  -1.231   0.735  0.00  0.00    -0.026 A 
ATOM     12  C   LIG    1        5.277  -2.197   1.759  0.00  0.00    +0.046 C 
ATOM     13  C   LIG    1        3.373  -1.003   0.642  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        2.855  -0.095  -0.288  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.776   0.539  -1.113  0.00  0.00    +0.119 A 
ATOM     16  N   LIG    1        5.118   0.363  -1.043  0.00  0.00    -0.257 NA
BRANCH  10  17
ATOM     17  C   LIG    1        7.106  -0.665  -0.088  0.00  0.00    +0.215 C 
BRANCH  17  19
ATOM     18  C   LIG    1        9.049  -0.447   1.224  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1        7.630  -0.397   1.216  0.00  0.00    -0.377 OA
ENDBRANCH  17  19
ENDBRANCH  10  17
ENDBRANCH   1  14
BRANCH   6  20
ATOM     20  N   LIG    1       -2.695   0.966  -0.451  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -3.212   0.749  -1.294  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.504   0.999   0.751  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.939   1.246   0.369  0.00  0.00    -0.024 A 
ATOM     24  C   LIG    1       -5.838   0.207   0.152  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -5.668  -1.257   0.316  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -6.946  -1.737  -0.371  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -7.916  -0.665  -0.367  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -7.152   0.463  -0.214  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.631   1.744  -0.386  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1       -6.744   2.803  -0.197  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -5.410   2.557   0.171  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 6