REMARK  Name = BDB001623
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.265  -0.944  -0.104  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -0.508   0.250   0.013  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1       -1.808  -0.207   0.127  0.00  0.00    +0.128 A 
ATOM      4  N   LIG    1       -1.779  -1.581   0.067  0.00  0.00    -0.239 N 
ATOM      5  N   LIG    1       -0.513  -2.034  -0.054  0.00  0.00    -0.166 NA
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -0.036   1.636   0.066  0.00  0.00    +0.284 C 
ATOM      7  N   LIG    1       -0.835   2.755  -0.263  0.00  0.00    -0.175 N 
ATOM      8  C   LIG    1       -0.526   4.108  -0.197  0.00  0.00    +0.098 A 
ATOM      9  C   LIG    1       -1.677   4.731  -0.665  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -1.733   6.130  -0.737  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -0.615   6.868  -0.331  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1        0.532   6.226   0.136  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1       -2.611   3.792  -0.993  0.00  0.00    -0.129 NA
ATOM     14  C   LIG    1        0.604   4.830   0.214  0.00  0.00    +0.030 A 
ATOM     15  N   LIG    1       -2.094   2.596  -0.756  0.00  0.00    -0.057 NA
ATOM     16  O   LIG    1        1.117   1.884   0.411  0.00  0.00    -0.265 OA
ENDBRANCH   2   6
BRANCH   1  19
ATOM     17  C   LIG    1        3.793  -2.174   0.407  0.00  0.00    +0.121 A 
ATOM     18  C   LIG    1        2.413  -1.997   0.550  0.00  0.00    +0.055 A 
ATOM     19  C   LIG    1        1.710  -1.102  -0.269  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1        2.405  -0.395  -1.256  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        3.783  -0.567  -1.403  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1        4.476  -1.452  -0.572  0.00  0.00    +0.045 A 
BRANCH  17  24
ATOM     23  C   LIG    1        5.747  -3.298   1.163  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1        4.348  -3.071   1.277  0.00  0.00    -0.495 OA
ENDBRANCH  17  24
ENDBRANCH   1  19
BRANCH   4  25
ATOM     25  C   LIG    1       -2.877  -2.486   0.128  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -4.197  -2.027   0.235  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -5.254  -2.941   0.293  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.002  -4.311   0.244  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.693  -4.775   0.135  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -2.632  -3.868   0.076  0.00  0.00    +0.028 A 
ENDBRANCH   4  25
TORSDOF 4