REMARK  Name = BDB013694
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.598  -3.012   0.358  0.00  0.00    +0.176 C 
ATOM      2  N   LIG    1        1.806  -1.577   0.351  0.00  0.00    -0.230 N 
ATOM      3  C   LIG    1        3.066  -1.060   0.085  0.00  0.00    +0.275 A 
ATOM      4  O   LIG    1        4.064  -1.743  -0.139  0.00  0.00    -0.266 OA
ATOM      5  C   LIG    1        3.183   0.406   0.095  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.048   1.180   0.303  0.00  0.00    +0.029 A 
ATOM      7  C   LIG    1        2.168   2.576   0.374  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.416   3.184   0.205  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        4.548   2.404  -0.027  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.741   0.482   0.458  0.00  0.00    +0.147 A 
ATOM     11  C   LIG    1        4.434   1.015  -0.077  0.00  0.00    +0.014 A 
ATOM     12  N   LIG    1        0.675  -0.818   0.492  0.00  0.00    -0.153 NA
ENDROOT
BRANCH  10  13
ATOM     13  N   LIG    1       -0.408   1.256   0.558  0.00  0.00    -0.323 N 
ATOM     14  H   LIG    1       -0.378   2.058  -0.070  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -1.773   0.711   0.506  0.00  0.00    +0.088 C 
ATOM     16  C   LIG    1       -2.109   0.235  -0.933  0.00  0.00    +0.071 C 
ATOM     17  C   LIG    1       -3.495  -0.415  -0.962  0.00  0.00    +0.020 C 
ATOM     18  C   LIG    1       -3.632  -1.575   0.030  0.00  0.00    +0.002 C 
ATOM     19  C   LIG    1       -2.486  -1.685   1.035  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -2.074  -0.327   1.598  0.00  0.00    +0.024 C 
BRANCH  16  21
ATOM     21  N   LIG    1       -2.042   1.366  -1.885  0.00  0.00    -0.326 NA
ATOM     22  H   LIG    1       -2.151   0.998  -2.831  0.00  0.00    +0.119 HD
ATOM     23  H   LIG    1       -2.841   1.982  -1.738  0.00  0.00    +0.119 HD
ENDBRANCH  16  21
ENDBRANCH  13  15
ENDBRANCH  10  13
TORSDOF 3