REMARK  Name = BDB023981
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.995  -0.987   1.144  0.00  0.00    +0.114 A 
ATOM      2  C   LIG    1       -2.098  -1.522   0.430  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.331  -2.876  -0.141  0.00  0.00    +0.147 C 
ATOM      4  N   LIG    1       -3.551  -2.884  -0.973  0.00  0.00    -0.297 N 
ATOM      5  C   LIG    1       -4.684  -2.045  -0.526  0.00  0.00    +0.114 C 
ATOM      6  C   LIG    1       -4.305  -0.559  -0.357  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -3.823  -3.905  -1.876  0.00  0.00    +0.213 C 
ATOM      8  O   LIG    1       -4.927  -4.059  -2.399  0.00  0.00    -0.276 OA
ATOM      9  C   LIG    1       -2.690  -4.840  -2.221  0.00  0.00    +0.109 C 
ATOM     10  C   LIG    1       -2.994  -0.479   0.334  0.00  0.00    +0.046 A 
ATOM     11  N   LIG    1       -2.415   0.596   0.937  0.00  0.00    -0.264 N 
ATOM     12  N   LIG    1       -1.200   0.304   1.447  0.00  0.00    -0.169 NA
ENDROOT
BRANCH   1  17
ATOM     13  C   LIG    1        3.161  -0.370  -0.042  0.00  0.00    +0.090 A 
ATOM     14  N   LIG    1        3.672  -1.429   0.675  0.00  0.00    -0.228 NA
ATOM     15  C   LIG    1        2.645  -1.973   1.291  0.00  0.00    +0.139 A 
ATOM     16  N   LIG    1        1.454  -1.311   0.995  0.00  0.00    -0.297 N 
ATOM     17  C   LIG    1        0.197  -1.705   1.499  0.00  0.00    +0.075 A 
ATOM     18  C   LIG    1        0.164  -2.777   2.325  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        1.390  -3.481   2.661  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.578  -3.093   2.164  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        1.797  -0.285   0.139  0.00  0.00    +0.121 A 
BRANCH  13  25
ATOM     22  C   LIG    1        5.653   2.157  -2.438  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1        4.283   2.406  -2.349  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.454   1.589  -1.570  0.00  0.00    +0.013 A 
ATOM     25  C   LIG    1        3.986   0.504  -0.863  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.364   0.263  -0.958  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.193   1.080  -1.737  0.00  0.00    +0.046 A 
BRANCH  22  29
ATOM     28  C   LIG    1        7.745   2.819  -3.349  0.00  0.00    +0.277 C 
ATOM     29  O   LIG    1        6.344   3.030  -3.232  0.00  0.00    -0.495 OA
ENDBRANCH  22  29
ENDBRANCH  13  25
ENDBRANCH   1  17
BRANCH  11  30
ATOM     30  C   LIG    1       -2.933   1.953   1.051  0.00  0.00    +0.112 C 
ATOM     31  C   LIG    1       -2.146   2.934   0.169  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -2.207   4.351   0.724  0.00  0.00    +0.162 C 
ATOM     33  O   LIG    1       -3.465   4.562   1.357  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -3.591   3.831   2.578  0.00  0.00    +0.162 C 
ATOM     35  C   LIG    1       -2.982   2.434   2.502  0.00  0.00    +0.055 C 
ENDBRANCH  11  30
TORSDOF 4