REMARK  Name = BDB050781
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.989   1.905  -0.234  0.00  0.00    +0.130 A 
ATOM      2  N   LIG    1        1.920   1.012   0.122  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1        1.537  -0.271   0.160  0.00  0.00    +0.157 A 
ATOM      4  N   LIG    1        0.309  -0.723  -0.131  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -0.618   0.173  -0.501  0.00  0.00    +0.127 A 
ATOM      6  C   LIG    1       -0.292   1.516  -0.576  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.881  -0.283  -0.850  0.00  0.00    -0.313 N 
ATOM      8  C   LIG    1       -2.075  -1.741  -0.891  0.00  0.00    +0.122 C 
ATOM      9  C   LIG    1       -3.462  -2.085  -1.483  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -4.619  -1.476  -0.789  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -5.358  -2.459  -0.002  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -4.206  -0.337   0.056  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -3.077   0.525  -0.558  0.00  0.00    +0.122 C 
ENDBRANCH   5   7
BRANCH   1  14
ATOM     14  N   LIG    1        1.425   3.236  -0.265  0.00  0.00    -0.285 N 
ATOM     15  H   LIG    1        2.436   3.249  -0.149  0.00  0.00    +0.155 HD
BRANCH  14  21
ATOM     16  C   LIG    1       -0.114   7.966  -0.200  0.00  0.00    +0.067 C 
ATOM     17  C   LIG    1        0.015   6.494  -0.086  0.00  0.00    +0.062 A 
ATOM     18  N   LIG    1       -1.004   5.761   0.379  0.00  0.00    -0.178 NA
ATOM     19  N   LIG    1       -0.528   4.504   0.358  0.00  0.00    -0.264 N 
ATOM     20  H   LIG    1       -1.109   3.770   0.741  0.00  0.00    +0.190 HD
ATOM     21  C   LIG    1        0.737   4.395  -0.154  0.00  0.00    +0.120 A 
ATOM     22  C   LIG    1        1.131   5.688  -0.412  0.00  0.00    +0.068 A 
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   3  23
ATOM     23  C   LIG    1        2.565  -1.236   0.558  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1        2.366  -2.561   0.659  0.00  0.00    +0.011 C 
BRANCH  24  25
ATOM     25  C   LIG    1        3.401  -3.518   1.069  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1        4.736  -3.399   0.660  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        5.686  -4.348   1.048  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.309  -5.431   1.839  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.982  -5.569   2.239  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        3.032  -4.621   1.850  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH   3  23
TORSDOF 5