REMARK  Name = BDB013729
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.079   0.512  -1.279  0.00  0.00    -0.322 N 
ATOM      2  H   LIG    1        0.260   1.455  -1.086  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -1.409   0.312  -0.960  0.00  0.00    +0.166 A 
ATOM      4  C   LIG    1       -2.210   1.518  -0.625  0.00  0.00    +0.117 A 
ATOM      5  C   LIG    1       -3.544   1.365  -0.339  0.00  0.00    +0.070 A 
ATOM      6  C   LIG    1       -4.281   2.508  -0.025  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -3.640   3.746  -0.009  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -2.283   3.796  -0.302  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -4.132   0.025  -0.357  0.00  0.00    +0.276 A 
ATOM     10  O   LIG    1       -5.333  -0.098  -0.129  0.00  0.00    -0.266 OA
ATOM     11  N   LIG    1       -3.263  -1.029  -0.625  0.00  0.00    -0.230 N 
ATOM     12  C   LIG    1       -3.768  -2.389  -0.682  0.00  0.00    +0.176 C 
ATOM     13  N   LIG    1       -1.541   2.709  -0.608  0.00  0.00    -0.251 NA
ATOM     14  N   LIG    1       -1.934  -0.880  -0.945  0.00  0.00    -0.151 NA
ENDBRANCH   1   3
BRANCH   1  16
ATOM     15  C   LIG    1        2.119  -0.100  -2.070  0.00  0.00    +0.030 C 
ATOM     16  C   LIG    1        0.933  -0.548  -1.209  0.00  0.00    +0.090 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.282  -0.917   0.291  0.00  0.00    +0.106 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.154   0.147   0.984  0.00  0.00    -0.029 A 
ATOM     19  C   LIG    1        3.543   0.017   1.135  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        4.298   1.023   1.745  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        3.679   2.176   2.220  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        2.302   2.322   2.090  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1        1.547   1.317   1.482  0.00  0.00    +0.005 A 
ENDBRANCH  17  18
BRANCH  17  24
ATOM     24  N   LIG    1        1.744  -2.310   0.586  0.00  0.00    -0.300 NA
ATOM     25  C   LIG    1        0.595  -3.176   0.883  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1        2.563  -2.943  -0.444  0.00  0.00    +0.105 C 
ENDBRANCH  17  24
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 5