REMARK  Name = BDB031260
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.235  -0.237   0.912  0.00  0.00    +0.154 C 
ATOM      2  N   LIG    1        4.042  -0.543   0.178  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        2.772  -0.018   0.441  0.00  0.00    +0.069 A 
ATOM      4  C   LIG    1        1.891  -0.559  -0.495  0.00  0.00    +0.069 A 
ATOM      5  C   LIG    1        0.551  -0.244  -0.520  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.079   0.636   0.466  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        0.987   1.211   1.391  0.00  0.00    +0.025 A 
ATOM      8  N   LIG    1        2.610  -1.405  -1.331  0.00  0.00    -0.306 N 
ATOM      9  H   LIG    1        2.258  -1.940  -2.107  0.00  0.00    +0.170 HD
ATOM     10  C   LIG    1        2.347   0.876   1.397  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1        3.956  -1.411  -0.928  0.00  0.00    +0.327 A 
ATOM     12  O   LIG    1        4.851  -2.051  -1.453  0.00  0.00    -0.247 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -1.262   1.103   0.478  0.00  0.00    -0.313 N 
ATOM     14  H   LIG    1       -1.306   1.936  -0.115  0.00  0.00    +0.152 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.426   0.339   0.161  0.00  0.00    +0.052 A 
ATOM     16  C   LIG    1       -3.581   1.017  -0.295  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -4.695   0.277  -0.703  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.732  -1.105  -0.514  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -3.646  -1.759   0.063  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.500  -1.038   0.406  0.00  0.00    +0.025 A 
BRANCH  16  21
ATOM     21  N   LIG    1       -3.546   2.415  -0.512  0.00  0.00    -0.357 N 
ATOM     22  H   LIG    1       -4.478   2.809  -0.613  0.00  0.00    +0.142 HD
ATOM     23  H   LIG    1       -3.049   2.879   0.245  0.00  0.00    +0.142 HD
ENDBRANCH  16  21
ENDBRANCH  13  15
ENDBRANCH   6  13
TORSDOF 3