REMARK  Name = BDB023959
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.175   5.901   0.044  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -0.149   4.854   0.396  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.584   3.538   0.486  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1        0.432   2.555   0.914  0.00  0.00    +0.146 C 
ATOM      5  C   LIG    1       -0.027   1.170   0.624  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        0.660  -0.071   0.697  0.00  0.00    +0.098 A 
ATOM      7  N   LIG    1       -0.146  -1.079   0.323  0.00  0.00    -0.170 NA
ATOM      8  N   LIG    1       -1.320  -0.496   0.009  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1       -1.296   0.852   0.192  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -2.371   1.840  -0.059  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -2.005   3.161   0.651  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1        1.024   5.179   0.584  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.025  -0.307   1.121  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1        2.967  -1.041   0.390  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        4.339  -1.282   0.777  0.00  0.00    +0.093 A 
ATOM     16  N   LIG    1        4.951  -2.016  -0.169  0.00  0.00    -0.171 NA
ATOM     17  N   LIG    1        4.003  -2.223  -1.106  0.00  0.00    -0.273 N 
ATOM     18  C   LIG    1        4.334  -2.998  -2.277  0.00  0.00    +0.172 C 
ATOM     19  C   LIG    1        4.852  -0.773   1.983  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        3.919  -0.032   2.740  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1        2.799  -1.651  -0.826  0.00  0.00    +0.117 A 
ATOM     22  C   LIG    1        2.569   0.191   2.328  0.00  0.00    +0.011 A 
ENDBRANCH   6  13
BRANCH   8  23
ATOM     23  C   LIG    1       -2.416  -1.319  -0.484  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -2.125  -1.869  -1.888  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1       -2.875  -3.169  -2.143  0.00  0.00    +0.162 C 
ATOM     26  O   LIG    1       -4.123  -3.143  -1.458  0.00  0.00    -0.380 OA
ATOM     27  C   LIG    1       -3.969  -3.239  -0.040  0.00  0.00    +0.162 C 
ATOM     28  C   LIG    1       -2.775  -2.448   0.484  0.00  0.00    +0.055 C 
ENDBRANCH   8  23
TORSDOF 2