REMARK  Name = BDB015121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.667   0.996   0.341  0.00  0.00    +0.166 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        1.184   2.203  -0.238  0.00  0.00    -0.387 OA
ATOM      3  H   LIG    1        0.500   2.560  -0.837  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.292  -0.253  -0.341  0.00  0.00    +0.119 C 
BRANCH   4   5
ATOM      5  N   LIG    1        2.737  -0.506  -0.187  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1        3.154  -0.687   1.208  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1        4.644  -0.943   1.360  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        5.539  -0.602   0.326  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        6.912  -0.829   0.490  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        7.405  -1.345   1.691  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.526  -1.652   2.730  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        5.011  -0.026  -0.966  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1        5.153  -1.452   2.568  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.580   0.513  -0.822  0.00  0.00    +0.089 C 
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1       -0.869   0.974   0.213  0.00  0.00    +0.261 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.196   1.091  -1.169  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -2.493   0.862  -1.536  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1       -3.575   0.688  -0.666  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1       -4.882   0.416  -1.139  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -5.050   0.342  -2.537  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1       -3.980   0.548  -3.413  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -2.707   0.806  -2.911  0.00  0.00    +0.046 A 
BRANCH  19  23
ATOM     23  C   LIG    1       -5.999   0.212  -0.183  0.00  0.00    +0.089 A 
ATOM     24  N   LIG    1       -5.749   0.543   1.114  0.00  0.00    -0.252 NA
ATOM     25  C   LIG    1       -6.757   0.341   2.000  0.00  0.00    +0.131 A 
ATOM     26  C   LIG    1       -7.984  -0.179   1.627  0.00  0.00    +0.130 A 
ATOM     27  N   LIG    1       -8.261  -0.516   0.350  0.00  0.00    -0.260 NA
ATOM     28  C   LIG    1       -7.249  -0.309  -0.533  0.00  0.00    +0.139 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7