REMARK  Name = BDB032049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.106  -1.993  -0.057  0.00  0.00    -0.273 N 
ATOM      2  C   LIG    1        0.255  -1.659   0.026  0.00  0.00    +0.167 A 
ATOM      3  C   LIG    1        0.948  -2.814   0.299  0.00  0.00    +0.107 A 
ATOM      4  C   LIG    1        2.293  -2.705   0.423  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1        2.902  -1.507   0.283  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.141  -0.416   0.019  0.00  0.00    +0.221 A 
ATOM      7  N   LIG    1        0.051  -3.875   0.406  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.395  -5.227   0.737  0.00  0.00    +0.154 C 
ATOM      9  N   LIG    1        0.801  -0.450  -0.116  0.00  0.00    -0.195 NA
ATOM     10  C   LIG    1       -1.251  -3.370   0.217  0.00  0.00    +0.331 A 
ATOM     11  O   LIG    1       -2.290  -4.005   0.285  0.00  0.00    -0.246 OA
ENDROOT
BRANCH   1  15
ATOM     12  N   LIG    1       -5.107  -0.633   0.224  0.00  0.00    -0.300 NA
ATOM     13  C   LIG    1       -4.076   0.140   0.930  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1       -2.787  -0.649   1.146  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -2.163  -1.007  -0.209  0.00  0.00    +0.096 C 
ATOM     16  C   LIG    1       -3.228  -1.415  -1.244  0.00  0.00    +0.040 C 
ATOM     17  C   LIG    1       -4.572  -1.734  -0.591  0.00  0.00    +0.086 C 
BRANCH  12  18
ATOM     18  C   LIG    1       -6.038   0.220  -0.533  0.00  0.00    +0.112 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -6.830   1.213   0.340  0.00  0.00    +0.174 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -7.288   2.999  -1.165  0.00  0.00    +0.194 C 
ATOM     21  O   LIG    1       -7.820   1.914  -0.419  0.00  0.00    -0.382 OA
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  12  18
ENDBRANCH   1  15
BRANCH   6  22
ATOM     22  N   LIG    1        2.702   0.848  -0.144  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1        1.956   1.500  -0.332  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.998   1.373  -0.044  0.00  0.00    +0.037 A 
ATOM     25  C   LIG    1        4.235   2.729  -0.358  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1        3.126   3.652  -0.790  0.00  0.00    +0.046 C 
ATOM     27  C   LIG    1        5.541   3.256  -0.270  0.00  0.00    +0.033 A 
ATOM     28  C   LIG    1        6.629   2.488   0.111  0.00  0.00    +0.071 A 
ATOM     29  C   LIG    1        6.402   1.135   0.416  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        7.503   0.356   0.799  0.00  0.00    +0.011 A 
ATOM     31  C   LIG    1        8.767   0.929   0.868  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        8.887   2.268   0.548  0.00  0.00    +0.111 A 
ATOM     33  N   LIG    1        7.851   3.049   0.175  0.00  0.00    -0.255 NA
ATOM     34  C   LIG    1        5.102   0.597   0.334  0.00  0.00    +0.033 A 
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 6