REMARK  Name = BDB043220
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.948  -2.250   0.189  0.00  0.00    +0.131 A 
ATOM      2  N   LIG    1       -1.653  -1.110   0.153  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -0.985   0.040   0.000  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.344   0.112  -0.127  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1        1.058  -1.022  -0.093  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.426  -2.241   0.055  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        2.461  -0.981  -0.228  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1        3.017   0.326  -0.651  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1        3.528   1.145   0.554  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        4.565   0.462   1.369  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1        5.891   1.032   1.140  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1        4.574  -0.996   1.120  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1        3.157  -1.583   0.937  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1       -1.593  -3.500   0.311  0.00  0.00    -0.283 N 
ATOM     15  H   LIG    1       -1.065  -4.139   0.892  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -6.474  -3.525  -0.631  0.00  0.00    +0.065 C 
ATOM     17  C   LIG    1       -5.081  -3.768  -0.204  0.00  0.00    +0.035 A 
ATOM     18  N   LIG    1       -4.714  -4.865   0.522  0.00  0.00    -0.280 N 
ATOM     19  H   LIG    1       -5.303  -5.621   0.854  0.00  0.00    +0.189 HD
ATOM     20  N   LIG    1       -3.403  -4.914   0.802  0.00  0.00    -0.158 NA
ATOM     21  C   LIG    1       -2.906  -3.801   0.256  0.00  0.00    +0.146 A 
ATOM     22  C   LIG    1       -3.916  -3.058  -0.397  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  N   LIG    1       -1.789   1.179  -0.009  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1       -2.748   0.891   0.131  0.00  0.00    +0.155 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -1.536   2.548  -0.133  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -0.263   3.088  -0.332  0.00  0.00    +0.056 A 
ATOM     27  C   LIG    1       -0.083   4.474  -0.451  0.00  0.00    +0.128 A 
ATOM     28  C   LIG    1       -1.172   5.348  -0.371  0.00  0.00    +0.033 A 
ATOM     29  C   LIG    1       -2.446   4.824  -0.173  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -2.621   3.441  -0.057  0.00  0.00    +0.023 A 
BRANCH  27  31
ATOM     31  N   LIG    1        1.266   5.013  -0.666  0.00  0.00    +0.056 N 
ATOM     32  O   LIG    1        2.199   4.209  -0.808  0.00  0.00    -0.126 OA
ATOM     33  O   LIG    1        1.395   6.246  -0.695  0.00  0.00    -0.126 OA
ENDBRANCH  27  31
ENDBRANCH  23  25
ENDBRANCH   3  23
TORSDOF 6