REMARK  Name = BDB029709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.508   0.655  -0.760  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        0.540  -0.204  -0.058  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.758   0.567   0.283  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -1.440   1.225  -0.854  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.485   1.534  -1.942  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        0.955   1.826  -1.461  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        5.601  -0.064  -0.434  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        4.745  -1.081  -0.154  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        3.423  -0.794  -0.277  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        2.871   0.440  -0.655  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        3.813   1.440  -0.928  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.186   1.199  -0.820  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        8.673  -2.115   0.365  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        7.342  -1.667   0.059  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        6.537  -2.246   0.284  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.064  -0.365  -0.300  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        7.916   0.495  -0.489  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -2.573   0.450  -1.376  0.00  0.00    +0.121 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.758   0.425  -0.442  0.00  0.00    -0.013 A 
ATOM     20  C   LIG    1       -4.391  -0.776  -0.098  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1       -5.495  -0.739   0.745  0.00  0.00    +0.068 A 
ATOM     22  C   LIG    1       -5.942   0.495   1.217  0.00  0.00    +0.089 A 
ATOM     23  C   LIG    1       -7.100   0.543   2.101  0.00  0.00    +0.055 A 
ATOM     24  C   LIG    1       -7.723  -0.590   2.454  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1       -7.253  -1.924   1.954  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -7.796  -2.983   2.253  0.00  0.00    -0.266 OA
ATOM     27 CL   LIG    1       -9.092  -0.557   3.498  0.00  0.00    -0.078 Cl
ATOM     28  N   LIG    1       -5.364   1.671   0.899  0.00  0.00    -0.253 NA
ATOM     29  N   LIG    1       -6.157  -1.914   1.122  0.00  0.00    -0.320 N 
ATOM     30  H   LIG    1       -5.847  -2.817   0.788  0.00  0.00    +0.169 HD
ATOM     31  C   LIG    1       -4.288   1.607   0.078  0.00  0.00    +0.116 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4