REMARK  Name = BDB037026
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.469  -0.504   0.102  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        2.199   0.156  -1.066  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        2.623   1.233  -1.443  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        1.287  -0.691  -1.837  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        1.024  -1.810  -1.063  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.192  -2.823  -1.491  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.373  -2.684  -2.759  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -0.106  -1.542  -3.548  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.718  -0.500  -3.089  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        1.762  -1.669   0.190  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        1.703  -2.462   1.110  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        4.737   0.476   5.008  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        4.324   0.338   3.861  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        3.059   0.741   3.512  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        2.488   1.095   4.268  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        2.422   0.575   2.302  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        1.240   0.891   2.177  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.299   0.055   1.158  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.343  -0.920   1.698  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.186  -0.220   2.753  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        0.987   0.638  -3.867  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1        1.582   1.290  -3.337  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -0.194   1.381  -4.353  0.00  0.00    +0.160 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.078   1.984  -3.311  0.00  0.00    +0.100 A 
ATOM     25  N   LIG    1       -0.980   3.305  -2.964  0.00  0.00    -0.133 NA
ATOM     26  N   LIG    1       -1.814   3.530  -1.958  0.00  0.00    -0.065 NA
ATOM     27  N   LIG    1       -2.405   2.359  -1.647  0.00  0.00    -0.250 N 
ATOM     28  C   LIG    1       -2.033   1.383  -2.519  0.00  0.00    +0.135 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -3.270   2.298  -0.492  0.00  0.00    +0.160 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.732   0.902  -0.033  0.00  0.00    +0.108 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -2.683  -0.108   0.234  0.00  0.00    -0.296 NA
ATOM     32  C   LIG    1       -1.689   0.339   1.230  0.00  0.00    +0.112 C 
ATOM     33  C   LIG    1       -2.248   0.481   2.659  0.00  0.00    +0.175 C 
ATOM     34  O   LIG    1       -3.266  -0.482   2.979  0.00  0.00    -0.377 OA
ATOM     35  C   LIG    1       -3.117  -1.674   2.207  0.00  0.00    +0.175 C 
ATOM     36  C   LIG    1       -3.295  -1.378   0.704  0.00  0.00    +0.112 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 7