REMARK  Name = BDB017069
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.915   1.081  -0.491  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1        0.325   0.634  -0.127  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        1.205   1.254  -0.995  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.502   2.067  -1.865  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -0.761   1.946  -1.533  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        2.659   1.093  -1.022  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        3.289   1.528  -2.140  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        4.629   1.399  -2.204  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        5.393   0.844  -1.195  0.00  0.00    +0.031 A 
ATOM     10  C   LIG    1        4.744   0.395  -0.044  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        3.353   0.524   0.041  0.00  0.00    +0.041 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.496  -0.197   1.052  0.00  0.00    +0.204 A 
ATOM     13  N   LIG    1        6.832  -0.350   1.071  0.00  0.00    -0.133 NA
ATOM     14  N   LIG    1        6.988  -0.926   2.272  0.00  0.00    -0.176 N 
ATOM     15  H   LIG    1        7.900  -1.190   2.633  0.00  0.00    +0.214 HD
ATOM     16  N   LIG    1        5.869  -1.136   2.973  0.00  0.00    -0.049 NA
ATOM     17  N   LIG    1        4.899  -0.670   2.199  0.00  0.00    -0.108 NA
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.175   0.713   0.124  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.828  -0.472  -0.587  0.00  0.00    +0.058 C 
BRANCH  19  22
ATOM     20 CL   LIG    1       -5.449   1.092  -1.323  0.00  0.00    -0.083 Cl
ATOM     21  C   LIG    1       -5.346  -0.218  -0.202  0.00  0.00    +0.044 A 
ATOM     22  C   LIG    1       -4.131  -0.870   0.067  0.00  0.00    -0.027 A 
ATOM     23  C   LIG    1       -4.127  -1.919   1.002  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -5.303  -2.311   1.644  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -6.501  -1.659   1.365  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -6.523  -0.613   0.443  0.00  0.00    +0.020 A 
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5