REMARK  Name = BDB057050
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.875   1.130   0.812  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -2.417   1.428   1.660  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -2.317   0.025   0.206  0.00  0.00    +0.304 C 
ATOM      4  N   LIG    1       -1.063  -0.231   0.734  0.00  0.00    -0.296 N 
ATOM      5  H   LIG    1       -0.556   0.595   1.017  0.00  0.00    +0.151 HD
ATOM      6  O   LIG    1       -2.823  -0.673  -0.662  0.00  0.00    -0.253 OA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -6.079   2.109  -0.861  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -4.878   1.435  -0.614  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1       -4.098   1.759   0.502  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -4.528   2.776   1.364  0.00  0.00    +0.023 A 
ATOM     11  C   LIG    1       -5.722   3.454   1.120  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1       -6.494   3.118   0.009  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.581   0.821  -2.796  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -6.926   1.881  -1.912  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   9
BRANCH   4  15
ATOM     15  C   LIG    1       -0.246  -1.320   0.199  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        0.822  -1.748   1.211  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        2.132  -0.990   1.008  0.00  0.00    +0.086 C 
ATOM     18  N   LIG    1        2.688  -1.101  -0.348  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        1.728  -1.578  -1.351  0.00  0.00    +0.086 C 
ATOM     20  C   LIG    1        0.362  -0.932  -1.156  0.00  0.00    +0.038 C 
BRANCH  18  21
ATOM     21  C   LIG    1        3.931  -1.887  -0.402  0.00  0.00    +0.119 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.100  -1.214   0.289  0.00  0.00    -0.033 A 
ATOM     23  C   LIG    1        5.855  -1.904   1.248  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        6.946  -1.290   1.868  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.296   0.016   1.532  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.559   0.710   0.575  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.469   0.098  -0.046  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   4  15
TORSDOF 5