REMARK  Name = BDB010048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.359  -1.196  -0.306  0.00  0.00    +0.144 A 
ATOM      2  N   LIG    1        0.330  -0.267  -0.253  0.00  0.00    -0.315 N 
ATOM      3  C   LIG    1       -0.818  -0.888  -0.690  0.00  0.00    +0.129 A 
ATOM      4  C   LIG    1       -0.386  -2.128  -1.123  0.00  0.00    +0.184 A 
ATOM      5  N   LIG    1       -1.177  -3.045  -1.699  0.00  0.00    -0.200 NA
ATOM      6  C   LIG    1       -2.441  -2.625  -1.825  0.00  0.00    +0.242 A 
ATOM      7  N   LIG    1       -2.958  -1.442  -1.416  0.00  0.00    -0.205 NA
ATOM      8  C   LIG    1       -2.162  -0.548  -0.792  0.00  0.00    +0.151 A 
ATOM      9  N   LIG    1        0.943  -2.308  -0.882  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        4.614  -0.266   3.389  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        4.318  -0.482   1.934  0.00  0.00    -0.050 A 
ATOM     12  C   LIG    1        3.006  -0.729   1.505  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        2.727  -0.965   0.151  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1        3.780  -0.997  -0.769  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        5.090  -0.766  -0.349  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        5.357  -0.509   0.996  0.00  0.00    +0.003 A 
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  C   LIG    1       -3.388  -3.590  -2.491  0.00  0.00    +0.375 C 
ATOM     18  O   LIG    1       -3.127  -4.701  -2.922  0.00  0.00    -0.242 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -4.654  -3.116  -2.594  0.00  0.00    -0.475 OA
ATOM     20  H   LIG    1       -5.135  -3.845  -3.037  0.00  0.00    +0.296 HD
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   8  21
ATOM     21  N   LIG    1       -2.685   0.659  -0.310  0.00  0.00    -0.313 N 
ATOM     22  C   LIG    1       -3.453   1.335  -1.365  0.00  0.00    +0.131 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -3.421   0.536   0.982  0.00  0.00    +0.075 C 
ATOM     24  C   LIG    1       -4.551  -0.498   0.977  0.00  0.00    +0.028 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -2.429   0.407   2.122  0.00  0.00    +0.009 C 
ATOM     26  C   LIG    1       -1.844  -0.911   2.575  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -2.792  -0.167   3.474  0.00  0.00    +0.005 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH   8  21
BRANCH   2  28
ATOM     28  C   LIG    1        0.475   1.134   0.113  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.243   1.921  -0.925  0.00  0.00    -0.028 A 
ATOM     30  C   LIG    1        2.492   2.481  -0.614  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1        3.206   3.203  -1.574  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        2.672   3.376  -2.848  0.00  0.00    +0.041 A 
ATOM     33 CL   LIG    1        3.551   4.266  -4.029  0.00  0.00    -0.084 Cl
ATOM     34  C   LIG    1        1.430   2.835  -3.171  0.00  0.00    +0.020 A 
ATOM     35  C   LIG    1        0.717   2.112  -2.213  0.00  0.00    +0.007 A 
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 8