REMARK  Name = BDB037005
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.829   0.038  -0.345  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        0.579   0.111   0.210  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.118   0.982   0.926  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.168  -1.058  -0.261  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        0.686  -1.781  -1.078  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        0.294  -2.943  -1.707  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -1.014  -3.368  -1.480  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.884  -2.631  -0.643  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -1.484  -1.438  -0.020  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        1.973  -1.090  -1.102  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        2.954  -1.496  -1.695  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        6.818   2.168   0.510  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.658   1.807   0.334  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.084   0.850   1.133  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.691   0.428   1.824  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        3.824   0.304   1.028  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        3.478  -0.610   1.775  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        2.901   0.960  -0.003  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        3.712   1.450  -1.200  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        4.771   2.430  -0.720  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -2.284  -0.730   0.875  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -1.885   0.187   1.105  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.743  -0.707   0.734  0.00  0.00    +0.085 C 
ATOM     24  C   LIG    1       -4.194   0.130  -0.479  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -5.159   1.110   0.035  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1       -5.146   1.957  -0.531  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -4.717   1.391   1.399  0.00  0.00    +0.083 C 
ATOM     28  C   LIG    1       -4.359   0.018   1.934  0.00  0.00    +0.038 C 
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 3