REMARK  Name = BDB020496
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.766  -1.695   1.170  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1       -3.553  -1.209   1.957  0.00  0.00    +0.171 C 
ATOM      3  N   LIG    1       -2.481  -0.793   1.068  0.00  0.00    -0.318 N 
ATOM      4  C   LIG    1       -1.470  -1.639   0.692  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -0.679  -0.890  -0.153  0.00  0.00    +0.094 A 
ATOM      6  N   LIG    1       -1.167   0.393  -0.241  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -1.419  -3.016   1.214  0.00  0.00    +0.163 C 
ATOM      8  N   LIG    1       -1.964  -3.043   2.566  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -1.581  -4.168   3.400  0.00  0.00    +0.132 C 
ATOM     10  C   LIG    1       -2.259   0.434   0.498  0.00  0.00    +0.115 A 
ATOM     11  C   LIG    1       -3.092  -2.307   2.916  0.00  0.00    +0.238 C 
ATOM     12  O   LIG    1       -3.733  -2.529   3.947  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   5  13
ATOM     13  C   LIG    1        0.533  -1.305  -0.836  0.00  0.00    +0.003 A 
ATOM     14  C   LIG    1        1.595  -0.389  -0.932  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1        2.786  -0.750  -1.595  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1        4.037  -0.141  -1.898  0.00  0.00    +0.103 A 
ATOM     17  N   LIG    1        4.859  -0.977  -2.545  0.00  0.00    -0.170 NA
ATOM     18  N   LIG    1        4.133  -2.098  -2.689  0.00  0.00    -0.266 N 
ATOM     19  C   LIG    1        4.707  -3.228  -3.380  0.00  0.00    +0.173 C 
ATOM     20  C   LIG    1        2.878  -2.031  -2.137  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1        1.831  -2.961  -2.072  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1        0.656  -2.570  -1.418  0.00  0.00    +0.012 A 
BRANCH  16  23
ATOM     23  C   LIG    1        4.444   1.223  -1.567  0.00  0.00    +0.040 A 
ATOM     24  C   LIG    1        3.703   2.317  -1.183  0.00  0.00    +0.118 A 
ATOM     25  N   LIG    1        4.597   3.336  -1.013  0.00  0.00    -0.274 N 
ATOM     26  C   LIG    1        4.301   4.691  -0.615  0.00  0.00    +0.172 C 
ATOM     27  N   LIG    1        5.871   2.984  -1.266  0.00  0.00    -0.179 NA
ATOM     28  C   LIG    1        5.772   1.696  -1.614  0.00  0.00    +0.144 A 
ENDBRANCH  16  23
ENDBRANCH   5  13
BRANCH  10  29
ATOM     29  C   LIG    1       -3.118   1.651   0.709  0.00  0.00    +0.060 C 
ATOM     30  C   LIG    1       -2.541   2.505   1.850  0.00  0.00    +0.039 C 
ATOM     31  C   LIG    1       -2.917   3.967   1.665  0.00  0.00    +0.160 C 
ATOM     32  O   LIG    1       -2.413   4.525   0.452  0.00  0.00    -0.380 OA
ATOM     33  C   LIG    1       -2.228   3.594  -0.618  0.00  0.00    +0.160 C 
ATOM     34  C   LIG    1       -3.252   2.469  -0.588  0.00  0.00    +0.039 C 
ENDBRANCH  10  29
TORSDOF 3