REMARK  Name = BDB012605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.216  -2.468   0.131  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1       -0.026  -1.797   0.209  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.430  -1.712  -1.093  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1       -0.455  -2.350  -1.941  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.426  -2.794  -1.176  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.651  -1.043  -1.533  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.176  -1.462  -2.710  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.299  -0.858  -3.145  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        3.938   0.159  -2.459  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        3.395   0.594  -1.249  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.229  -0.022  -0.782  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        4.047   1.666  -0.517  0.00  0.00    +0.112 A 
ATOM     13  N   LIG    1        5.190   2.295  -0.946  0.00  0.00    -0.130 NA
ATOM     14  N   LIG    1        5.520   3.218  -0.053  0.00  0.00    -0.068 NA
ATOM     15  N   LIG    1        4.604   3.176   0.922  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        4.694   3.818   1.702  0.00  0.00    +0.190 HD
ATOM     17  C   LIG    1        3.659   2.223   0.682  0.00  0.00    +0.135 A 
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.086  -2.796   1.242  0.00  0.00    +0.127 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -3.284  -1.855   1.399  0.00  0.00    +0.060 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.752   0.555   0.763  0.00  0.00    +0.123 A 
ATOM     21  C   LIG    1       -2.888  -0.436   1.753  0.00  0.00    -0.004 A 
ATOM     22  C   LIG    1       -2.603  -0.114   3.090  0.00  0.00    +0.007 A 
ATOM     23  C   LIG    1       -2.205   1.176   3.438  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.087   2.156   2.456  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -2.363   1.848   1.123  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -2.390   0.894  -1.556  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -3.057   0.181  -0.518  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6