REMARK  Name = BDB037006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.549  -0.480   0.044  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.300   0.075  -0.022  0.00  0.00    +0.256 C 
ATOM      3  O   LIG    1        0.814   0.935   0.691  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.589  -0.594  -1.115  0.00  0.00    +0.070 A 
ATOM      5  C   LIG    1        1.467  -1.517  -1.661  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        1.113  -2.335  -2.712  0.00  0.00    +0.014 A 
ATOM      7  C   LIG    1       -0.180  -2.191  -3.212  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -1.073  -1.247  -2.655  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1       -0.714  -0.429  -1.571  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1        2.730  -1.417  -0.934  0.00  0.00    +0.255 C 
ATOM     11  O   LIG    1        3.725  -2.063  -1.203  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.466   0.753   2.154  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.319   0.512   1.793  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        5.776   1.135   0.697  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.396   1.746   0.183  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.535   0.929   0.135  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        4.220   1.506  -0.904  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.591   0.020   0.927  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.385  -1.071   1.640  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.412  -0.425   2.558  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   9  21
ATOM     21  N   LIG    1       -1.538   0.561  -1.045  0.00  0.00    -0.339 N 
ATOM     22  H   LIG    1       -1.155   0.964  -0.182  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.005   0.433  -1.016  0.00  0.00    +0.084 C 
ATOM     24  C   LIG    1       -3.424  -0.644   0.017  0.00  0.00    +0.103 C 
ATOM     25  N   LIG    1       -4.852  -0.797   0.285  0.00  0.00    -0.314 NA
ATOM     26  H   LIG    1       -5.339  -1.147  -0.539  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1       -5.547   0.373   0.814  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1       -4.696   1.391   1.578  0.00  0.00    +0.015 C 
ATOM     29  C   LIG    1       -3.698   2.206   0.741  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -3.587   1.833  -0.738  0.00  0.00    +0.023 C 
ENDBRANCH  21  23
ENDBRANCH   9  21
TORSDOF 3