REMARK  Name = BDB039696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.643   0.227  -0.416  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1       -2.404   1.534  -1.053  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -1.080   1.508  -1.849  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.119   1.237  -1.026  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.211   0.375   0.132  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -1.446  -0.543  -0.036  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -6.499  -0.981   0.625  0.00  0.00    +0.106 A 
ATOM      8  N   LIG    1       -6.293   0.321   0.327  0.00  0.00    -0.250 NA
ATOM      9  C   LIG    1       -5.020   0.669  -0.003  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1       -3.914  -0.190  -0.063  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1       -4.199  -1.524   0.254  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1       -5.490  -1.931   0.601  0.00  0.00    +0.033 A 
BRANCH   7  13
ATOM     13  C   LIG    1       -7.889  -1.381   0.988  0.00  0.00    +0.181 C 
ATOM     14  O   LIG    1       -8.139  -2.554   1.263  0.00  0.00    -0.290 OA
BRANCH  13  16
ATOM     15  C   LIG    1      -10.314  -0.810   1.387  0.00  0.00    +0.012 C 
ATOM     16  C   LIG    1       -8.942  -0.286   0.995  0.00  0.00    +0.078 C 
ENDBRANCH  13  16
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  17
ATOM     17  C   LIG    1        1.197   0.690  -1.861  0.00  0.00    +0.121 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.550   0.730  -1.196  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.384  -0.391  -1.165  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        4.645  -0.310  -0.562  0.00  0.00    -0.014 A 
ATOM     21  C   LIG    1        5.554  -1.501  -0.513  0.00  0.00    +0.116 C 
ATOM     22  C   LIG    1        6.876  -1.287   0.196  0.00  0.00    +0.164 C 
ATOM     23  C   LIG    1        7.220   0.065   0.734  0.00  0.00    -0.003 C 
ATOM     24  C   LIG    1        6.327   1.061   0.625  0.00  0.00    +0.035 C 
ATOM     25  O   LIG    1        7.669  -2.221   0.327  0.00  0.00    -0.292 OA
ATOM     26  C   LIG    1        5.028   0.909  -0.017  0.00  0.00    +0.068 A 
ATOM     27  N   LIG    1        4.254   2.013  -0.040  0.00  0.00    -0.255 NA
ATOM     28  C   LIG    1        3.040   1.901  -0.627  0.00  0.00    +0.116 A 
BRANCH  23  29
ATOM     29  C   LIG    1        8.549   0.232   1.417  0.00  0.00    +0.035 C 
ATOM     30  C   LIG    1        9.698   0.353   0.426  0.00  0.00    +0.009 C 
ENDBRANCH  23  29
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 6