REMARK  Name = BDB063837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.498   2.278   3.499  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        1.128   1.824   2.435  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.853   0.926   1.496  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.087   0.476   1.755  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.063   0.690   0.392  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.032   1.350   0.623  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.053   2.017   1.798  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -0.776   2.619   2.144  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.897  -0.406   0.899  0.00  0.00    -0.021 A 
ATOM     10  C   LIG    1        3.330  -1.465   0.168  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        4.164  -2.297  -0.595  0.00  0.00    +0.089 A 
ATOM     12  C   LIG    1        5.534  -2.062  -0.604  0.00  0.00    +0.066 A 
ATOM     13  N   LIG    1        6.038  -3.034  -1.431  0.00  0.00    -0.344 N 
ATOM     14  H   LIG    1        7.009  -3.164  -1.671  0.00  0.00    +0.167 HD
ATOM     15  C   LIG    1        4.993  -3.797  -1.871  0.00  0.00    +0.197 A 
ATOM     16  C   LIG    1        6.139  -1.033   0.115  0.00  0.00    +0.028 A 
ATOM     17  N   LIG    1        3.848  -3.380  -1.382  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1        5.289  -0.215   0.872  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  19
ATOM     19  N   LIG    1       -1.073   1.374  -0.247  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -0.917   0.733  -1.021  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.475   1.561   0.107  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -2.985   0.300   0.818  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -4.504   0.155   0.873  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -5.074  -0.546  -0.358  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.076   0.284  -1.637  0.00  0.00    +0.000 C 
ATOM     26  C   LIG    1       -3.716   0.843  -2.052  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -3.247   1.985  -1.152  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 3