REMARK  Name = BDB045673
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.357   0.118   1.953  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -1.543  -0.190   1.392  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -2.635  -0.172   2.167  0.00  0.00    +0.217 A 
ATOM      4  N   LIG    1       -2.622   0.116   3.472  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1       -1.428   0.420   4.005  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.258   0.434   3.288  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.729   0.081   1.076  0.00  0.00    -0.283 N 
ATOM      8  H   LIG    1        0.371  -0.166   0.161  0.00  0.00    +0.155 HD
BRANCH   7  13
ATOM      9  C   LIG    1        4.200   0.491   0.683  0.00  0.00    +0.050 A 
ATOM     10  N   LIG    1        3.975   0.745   2.011  0.00  0.00    -0.279 N 
ATOM     11  H   LIG    1        4.665   0.993   2.719  0.00  0.00    +0.189 HD
ATOM     12  N   LIG    1        2.686   0.645   2.367  0.00  0.00    -0.158 NA
ATOM     13  C   LIG    1        2.047   0.307   1.246  0.00  0.00    +0.146 A 
ATOM     14  C   LIG    1        2.958   0.193   0.166  0.00  0.00    +0.069 A 
BRANCH   9  19
ATOM     15  C   LIG    1        8.545   2.772   0.335  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1        7.335   2.070  -0.024  0.00  0.00    -0.304 N 
ATOM     17  C   LIG    1        6.564   1.347   0.876  0.00  0.00    +0.224 C 
ATOM     18  O   LIG    1        6.679   1.340   2.094  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.562   0.521   0.071  0.00  0.00    +0.125 C 
ATOM     20  C   LIG    1        5.603   1.209  -1.297  0.00  0.00    +0.038 C 
ATOM     21  C   LIG    1        7.025   1.731  -1.388  0.00  0.00    +0.108 C 
ENDBRANCH   9  19
ENDBRANCH   7  13
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  N   LIG    1       -3.885  -0.473   1.644  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -4.463  -0.683   2.451  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.913  -1.468   0.584  0.00  0.00    +0.108 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.849  -0.812  -0.814  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1       -5.058   0.098  -1.103  0.00  0.00    +0.006 C 
ATOM     27  C   LIG    1       -6.352  -0.681  -1.352  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -6.205  -1.747  -2.445  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -5.005  -2.659  -2.161  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -3.710  -1.879  -1.914  0.00  0.00    +0.006 C 
BRANCH  28  31
ATOM     31  N   LIG    1       -6.053  -1.112  -3.756  0.00  0.00    -0.327 NA
ATOM     32  H   LIG    1       -6.859  -0.517  -3.945  0.00  0.00    +0.118 HD
ATOM     33  H   LIG    1       -6.041  -1.823  -4.486  0.00  0.00    +0.118 HD
ENDBRANCH  28  31
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 7