REMARK  Name = BDB037004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.701  -0.621   0.611  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1       -1.647   0.176   0.257  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1       -1.451   0.755  -0.797  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1       -0.736   0.217   1.404  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1       -1.310  -0.552   2.403  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1       -0.704  -0.739   3.627  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1        0.525  -0.110   3.822  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1        1.106   0.678   2.801  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        0.491   0.853   1.551  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -2.581  -1.064   1.899  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1       -3.343  -1.761   2.540  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1       -6.679   0.023  -3.122  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.837  -0.234  -2.266  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1       -5.691   0.559  -1.155  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -6.271   1.387  -1.123  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -4.762   0.437  -0.145  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1       -4.701   1.280   0.749  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1       -3.901  -0.829  -0.185  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1       -3.633  -1.238  -1.631  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1       -4.960  -1.463  -2.341  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1        0.999   1.672   0.552  0.00  0.00    -0.343 N 
ATOM     22  H   LIG    1        0.488   1.601  -0.334  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.417   1.978   0.410  0.00  0.00    +0.106 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.242   0.763  -0.046  0.00  0.00    +0.020 C 
ATOM     25  C   LIG    1        2.877   0.316  -1.468  0.00  0.00    +0.086 C 
ATOM     26  N   LIG    1        3.631  -0.850  -1.943  0.00  0.00    -0.316 NA
ATOM     27  H   LIG    1        3.046  -1.684  -1.907  0.00  0.00    +0.122 HD
ATOM     28  C   LIG    1        4.876  -1.102  -1.221  0.00  0.00    +0.081 C 
ATOM     29  C   LIG    1        5.597   0.190  -0.858  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1        4.744   1.088   0.039  0.00  0.00    +0.007 C 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 4