REMARK  Name = BDB037070
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.733   0.915   0.392  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        2.228  -0.216  -0.186  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.826  -1.152  -0.680  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.773  -0.105  -0.132  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        0.470   1.093   0.483  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.832   1.502   0.690  0.00  0.00    +0.017 A 
ATOM      7  C   LIG    1       -1.862   0.657   0.241  0.00  0.00    -0.043 A 
ATOM      8  C   LIG    1       -3.300   1.085   0.484  0.00  0.00    +0.040 C 
ATOM      9  C   LIG    1       -4.261   0.297  -0.392  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -3.981  -1.190  -0.268  0.00  0.00    +0.012 C 
ATOM     11  C   LIG    1       -5.210  -1.774  -0.933  0.00  0.00    +0.085 C 
ATOM     12  N   LIG    1       -6.303  -0.926  -0.430  0.00  0.00    -0.315 NA
ATOM     13  H   LIG    1       -7.018  -0.812  -1.147  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1       -2.636  -1.524  -0.893  0.00  0.00    +0.040 C 
ATOM     15  C   LIG    1       -5.737   0.379  -0.044  0.00  0.00    +0.085 C 
ATOM     16  C   LIG    1       -1.548  -0.594  -0.382  0.00  0.00    -0.043 A 
ATOM     17  C   LIG    1       -0.207  -0.969  -0.579  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        1.733   1.742   0.829  0.00  0.00    +0.255 C 
ATOM     19  O   LIG    1        1.818   2.801   1.420  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  26
ATOM     20  O   LIG    1        7.005  -1.519  -0.732  0.00  0.00    -0.275 OA
ATOM     21  C   LIG    1        6.185  -0.710  -0.306  0.00  0.00    +0.219 C 
ATOM     22  N   LIG    1        5.878   0.417  -1.023  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1        6.291   0.451  -1.946  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1        4.812   1.259  -0.828  0.00  0.00    +0.240 C 
ATOM     25  O   LIG    1        4.400   1.968  -1.745  0.00  0.00    -0.273 OA
ATOM     26  C   LIG    1        4.147   1.223   0.548  0.00  0.00    +0.171 C 
ATOM     27  C   LIG    1        4.890   0.360   1.565  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1        5.437  -0.932   0.985  0.00  0.00    +0.098 C 
ENDBRANCH   1  26
TORSDOF 1