REMARK  Name = BDB000116
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.818  -0.214  -1.752  0.00  0.00    -0.299 N 
ATOM      2  H   LIG    1        2.388   0.488  -1.174  0.00  0.00    +0.150 HD
ATOM      3  C   LIG    1        3.096  -1.418  -1.156  0.00  0.00    +0.303 C 
ATOM      4  N   LIG    1        2.291  -1.742  -0.098  0.00  0.00    -0.275 N 
ATOM      5  C   LIG    1        1.089  -1.003   0.363  0.00  0.00    +0.150 C 
ATOM      6  C   LIG    1        0.612  -1.875   1.438  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        1.412  -3.008   1.573  0.00  0.00    +0.087 A 
ATOM      8  N   LIG    1        1.027  -3.829   2.542  0.00  0.00    -0.175 NA
ATOM      9  N   LIG    1       -0.066  -3.188   3.036  0.00  0.00    -0.263 N 
ATOM     10  H   LIG    1       -0.587  -3.599   3.806  0.00  0.00    +0.190 HD
ATOM     11  C   LIG    1       -0.357  -1.996   2.392  0.00  0.00    +0.125 A 
ATOM     12  C   LIG    1        2.518  -3.036   0.602  0.00  0.00    +0.167 C 
ATOM     13  O   LIG    1        3.990  -2.160  -1.551  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  11  14
ATOM     14  N   LIG    1       -1.418  -1.174   2.705  0.00  0.00    -0.270 N 
ATOM     15  H   LIG    1       -1.561  -0.342   2.146  0.00  0.00    +0.156 HD
ATOM     16  C   LIG    1       -2.336  -1.504   3.690  0.00  0.00    +0.223 C 
ATOM     17  O   LIG    1       -2.251  -2.506   4.402  0.00  0.00    -0.275 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -3.452  -0.487   3.890  0.00  0.00    +0.131 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.977   0.130   2.613  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1       -3.793   1.495   2.350  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.235   2.069   1.146  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -4.881   1.255   0.188  0.00  0.00    -0.018 A 
ATOM     23  C   LIG    1       -5.314   1.826  -1.020  0.00  0.00    +0.008 A 
ATOM     24  C   LIG    1       -5.112   3.182  -1.281  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.480   3.986  -0.336  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.076  -0.107   0.464  0.00  0.00    +0.009 A 
ATOM     27  C   LIG    1       -4.045   3.434   0.870  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -4.630  -0.663   1.664  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  11  14
BRANCH   1  29
ATOM     29  C   LIG    1        3.633   0.276  -2.849  0.00  0.00    +0.106 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.929   0.915  -2.347  0.00  0.00    +0.018 C 
BRANCH  30  32
ATOM     31  C   LIG    1        6.294   0.549  -4.469  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1        5.763   1.553  -3.459  0.00  0.00    -0.002 C 
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 6