REMARK  Name = BDB062336
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.462  -0.892  -1.831  0.00  0.00    -0.332 N 
ATOM      2  C   LIG    1       -0.492  -1.814  -1.490  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -1.679  -1.125  -1.259  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -2.800  -1.890  -0.896  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -2.640  -3.272  -0.793  0.00  0.00    +0.024 A 
ATOM      6  C   LIG    1       -1.394  -3.844  -1.048  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -1.234  -5.333  -0.931  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -1.415   0.270  -1.457  0.00  0.00    -0.003 A 
ATOM      9  N   LIG    1       -0.290  -3.143  -1.397  0.00  0.00    -0.234 NA
ATOM     10  C   LIG    1       -0.081   0.367  -1.826  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.840  -1.212  -2.158  0.00  0.00    +0.125 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.714  -1.309  -0.913  0.00  0.00    +0.040 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.129  -1.744  -1.275  0.00  0.00    +0.109 C 
BRANCH  13  15
ATOM     14  C   LIG    1        5.595  -0.696   0.401  0.00  0.00    +0.400 C 
ATOM     15  N   LIG    1        4.982  -1.798  -0.112  0.00  0.00    -0.281 N 
ATOM     16  H   LIG    1        5.024  -2.630   0.459  0.00  0.00    +0.152 HD
ATOM     17  O   LIG    1        5.567   0.421  -0.092  0.00  0.00    -0.226 OA
BRANCH  14  19
ATOM     18  C   LIG    1        6.882   0.058   2.194  0.00  0.00    +0.282 C 
ATOM     19  O   LIG    1        6.226  -1.035   1.550  0.00  0.00    -0.454 OA
ENDBRANCH  14  19
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   8  20
ATOM     20  C   LIG    1       -2.410   1.379  -1.303  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.806   2.571  -0.701  0.00  0.00    -0.292 N 
ATOM     22  C   LIG    1       -1.394   2.659   0.634  0.00  0.00    +0.246 C 
ATOM     23  O   LIG    1       -0.768   3.643   1.045  0.00  0.00    -0.273 OA
BRANCH  22  24
ATOM     24  C   LIG    1       -1.698   1.471   1.577  0.00  0.00    +0.217 C 
ATOM     25  O   LIG    1       -3.103   1.182   1.639  0.00  0.00    -0.365 OA
ATOM     26  C   LIG    1       -3.362   0.079   2.517  0.00  0.00    +0.176 C 
ATOM     27  C   LIG    1       -2.850   0.360   3.936  0.00  0.00    +0.109 C 
ATOM     28  N   LIG    1       -1.411   0.669   3.954  0.00  0.00    -0.311 NA
ATOM     29  H   LIG    1       -0.893  -0.151   3.637  0.00  0.00    +0.122 HD
ATOM     30  C   LIG    1       -1.162   1.775   2.998  0.00  0.00    +0.122 C 
ENDBRANCH  22  24
BRANCH  21  31
ATOM     31  C   LIG    1       -1.504   3.670  -1.597  0.00  0.00    +0.077 C 
ATOM     32  C   LIG    1       -2.033   5.058  -1.335  0.00  0.00    +0.024 C 
ATOM     33  C   LIG    1       -2.547   4.278  -2.502  0.00  0.00    +0.024 C 
ENDBRANCH  21  31
ENDBRANCH  20  21
ENDBRANCH   8  20
TORSDOF 9