REMARK  Name = BDB039324
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.421   1.433   0.289  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1        1.385   0.653  -0.375  0.00  0.00    +0.016 A 
ATOM      3  C   LIG    1        2.686   0.675   0.096  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1        3.901  -0.017  -0.423  0.00  0.00    +0.144 C 
ATOM      5  N   LIG    1        4.916   0.311   0.578  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        4.454   1.282   1.460  0.00  0.00    +0.248 C 
ATOM      7  O   LIG    1        5.077   1.905   2.296  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.021   1.456   1.199  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        2.101   2.237   1.871  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.783   2.218   1.407  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  17
ATOM     11  C   LIG    1       -3.266   0.595  -0.032  0.00  0.00    -0.029 A 
ATOM     12  C   LIG    1       -3.656   1.379  -1.064  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -2.716   2.225  -1.709  0.00  0.00    +0.066 A 
ATOM     14  N   LIG    1       -1.409   2.225  -1.248  0.00  0.00    -0.299 N 
ATOM     15  C   LIG    1       -0.730   3.126  -2.036  0.00  0.00    +0.204 A 
ATOM     16  N   LIG    1       -1.501   3.675  -2.950  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1       -0.972   1.428  -0.181  0.00  0.00    +0.055 A 
ATOM     18  C   LIG    1       -2.741   3.122  -2.751  0.00  0.00    +0.138 A 
ATOM     19  C   LIG    1       -1.871   0.624   0.427  0.00  0.00    +0.031 A 
BRANCH  11  20
ATOM     20  C   LIG    1       -4.195  -0.349   0.716  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -5.403  -0.773  -0.028  0.00  0.00    -0.299 NA
BRANCH  21  23
ATOM     22  C   LIG    1       -5.788  -1.522  -2.362  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -5.054  -1.780  -1.050  0.00  0.00    +0.081 C 
ENDBRANCH  21  23
BRANCH  21  24
ATOM     24  C   LIG    1       -6.402  -1.278   0.936  0.00  0.00    +0.081 C 
ATOM     25  C   LIG    1       -7.758  -1.614   0.329  0.00  0.00    +0.020 C 
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH  11  20
ENDBRANCH   1  17
BRANCH   5  26
ATOM     26  C   LIG    1        6.346   0.050   0.367  0.00  0.00    +0.163 C 
ATOM     27  C   LIG    1        6.584  -1.050  -0.682  0.00  0.00    +0.240 C 
ATOM     28  O   LIG    1        6.414  -0.867  -1.887  0.00  0.00    -0.273 OA
ATOM     29  N   LIG    1        6.840  -2.314  -0.207  0.00  0.00    -0.255 N 
ATOM     30  H   LIG    1        6.895  -3.042  -0.907  0.00  0.00    +0.158 HD
ATOM     31  C   LIG    1        6.745  -2.749   1.090  0.00  0.00    +0.219 C 
ATOM     32  O   LIG    1        6.717  -3.949   1.349  0.00  0.00    -0.275 OA
ATOM     33  C   LIG    1        6.609  -1.689   2.154  0.00  0.00    +0.098 C 
ATOM     34  C   LIG    1        7.095  -0.340   1.648  0.00  0.00    +0.041 C 
ENDBRANCH   5  26
TORSDOF 6