REMARK  Name = BDB043223
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.690  -0.580  -0.195  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1        0.624  -0.682   0.062  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.359   0.432   0.011  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.855   1.641  -0.271  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -0.462   1.754  -0.510  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -1.267   0.633  -0.497  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -0.977   3.009  -0.814  0.00  0.00    -0.311 N 
ATOM      8  C   LIG    1       -0.018   4.118  -0.922  0.00  0.00    +0.134 C 
ATOM      9  C   LIG    1       -0.756   5.384  -1.385  0.00  0.00    +0.178 C 
ATOM     10  O   LIG    1       -1.798   5.812  -0.493  0.00  0.00    -0.377 OA
ATOM     11  C   LIG    1       -2.307   4.757   0.334  0.00  0.00    +0.178 C 
ATOM     12  C   LIG    1       -2.326   3.380  -0.353  0.00  0.00    +0.134 C 
ENDBRANCH   5   7
BRANCH   1  13
ATOM     13  N   LIG    1       -1.393  -1.786  -0.133  0.00  0.00    -0.283 N 
ATOM     14  H   LIG    1       -0.730  -2.518   0.091  0.00  0.00    +0.155 HD
BRANCH  13  20
ATOM     15  C   LIG    1       -5.556  -4.431  -0.380  0.00  0.00    +0.065 C 
ATOM     16  C   LIG    1       -4.514  -3.383  -0.366  0.00  0.00    +0.035 A 
ATOM     17  N   LIG    1       -4.796  -2.064  -0.575  0.00  0.00    -0.280 N 
ATOM     18  H   LIG    1       -5.698  -1.638  -0.759  0.00  0.00    +0.189 HD
ATOM     19  N   LIG    1       -3.719  -1.267  -0.520  0.00  0.00    -0.158 NA
ATOM     20  C   LIG    1       -2.698  -2.093  -0.277  0.00  0.00    +0.146 A 
ATOM     21  C   LIG    1       -3.153  -3.432  -0.168  0.00  0.00    +0.068 A 
ENDBRANCH  13  20
ENDBRANCH   1  13
BRANCH   3  22
ATOM     22  N   LIG    1        2.732   0.422   0.253  0.00  0.00    -0.284 N 
ATOM     23  H   LIG    1        3.075   1.366   0.155  0.00  0.00    +0.155 HD
BRANCH  22  24
ATOM     24  C   LIG    1        3.661  -0.572   0.569  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        3.335  -1.925   0.724  0.00  0.00    +0.025 A 
ATOM     26  C   LIG    1        4.309  -2.880   1.044  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        5.637  -2.481   1.215  0.00  0.00    +0.126 A 
ATOM     28  C   LIG    1        5.992  -1.138   1.067  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        5.006  -0.198   0.748  0.00  0.00    +0.025 A 
BRANCH  27  30
ATOM     30  N   LIG    1        6.662  -3.476   1.550  0.00  0.00    +0.056 N 
ATOM     31  O   LIG    1        7.828  -3.078   1.692  0.00  0.00    -0.126 OA
ATOM     32  O   LIG    1        6.304  -4.656   1.672  0.00  0.00    -0.126 OA
ENDBRANCH  27  30
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 6