REMARK  Name = BDB013071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.296   1.951  -1.607  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -1.951   2.414  -0.335  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1       -0.762   2.106   0.280  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1       -0.746   2.649   1.481  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1       -1.913   3.365   1.639  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.164   1.311  -0.452  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1       -0.220   0.960  -1.701  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -2.609   3.236   0.532  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -1.431   1.256  -2.295  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        1.496   0.906   0.045  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        1.989  -0.386  -0.102  0.00  0.00    +0.121 A 
ATOM     12  N   LIG    1        3.199  -0.810   0.343  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        3.986   0.067   1.002  0.00  0.00    +0.121 A 
ATOM     14  C   LIG    1        3.568   1.385   1.190  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        2.321   1.803   0.719  0.00  0.00    +0.013 A 
BRANCH  13  16
ATOM     16  N   LIG    1        5.252  -0.337   1.468  0.00  0.00    -0.311 N 
ATOM     17  C   LIG    1        5.631  -1.691   1.005  0.00  0.00    +0.134 C 
ATOM     18  C   LIG    1        7.051  -2.023   1.489  0.00  0.00    +0.178 C 
ATOM     19  O   LIG    1        7.153  -1.933   2.920  0.00  0.00    -0.377 OA
ATOM     20  C   LIG    1        6.819  -0.606   3.355  0.00  0.00    +0.178 C 
ATOM     21  C   LIG    1        5.393  -0.209   2.935  0.00  0.00    +0.134 C 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  22
ATOM     22  N   LIG    1       -3.526   2.235  -2.161  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.486   1.952  -3.140  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.753   1.692  -1.580  0.00  0.00    +0.140 C 
BRANCH  24  32
ATOM     25  C   LIG    1       -5.621  -1.450  -3.586  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -5.281  -2.474  -2.705  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -4.760  -2.122  -1.478  0.00  0.00    +0.124 A 
ATOM     28  O   LIG    1       -4.392  -3.030  -0.518  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -3.651  -2.235   0.434  0.00  0.00    +0.234 C 
ATOM     30  C   LIG    1       -4.081  -0.775   0.298  0.00  0.00    +0.080 C 
ATOM     31  C   LIG    1       -4.583  -0.797  -1.098  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -4.932   0.244  -1.953  0.00  0.00    -0.024 A 
ATOM     33  C   LIG    1       -5.446  -0.105  -3.217  0.00  0.00    +0.005 A 
ENDBRANCH  24  32
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 5