REMARK  Name = BDB049912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.347  -1.375  -0.352  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1       -2.156  -0.455  -0.972  0.00  0.00    -0.340 N 
ATOM      3  H   LIG    1       -2.168  -0.241  -1.960  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -2.967   0.116  -0.024  0.00  0.00    +0.078 A 
ATOM      5  C   LIG    1       -2.627  -0.538   1.155  0.00  0.00    +0.090 A 
ATOM      6  C   LIG    1       -3.315  -0.229   2.338  0.00  0.00    +0.030 A 
ATOM      7  C   LIG    1       -4.344   0.721   2.297  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -4.669   1.368   1.103  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1       -3.969   1.093  -0.082  0.00  0.00    +0.062 A 
ATOM     10  N   LIG    1       -1.610  -1.433   0.941  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   9  11
ATOM     11  C   LIG    1       -4.312   1.808  -1.326  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -5.453   2.171  -1.572  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -3.272   2.098  -2.170  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -3.521   2.747  -2.909  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -2.352   2.234  -1.768  0.00  0.00    +0.145 HD
ENDBRANCH   9  11
BRANCH   1  17
ATOM     16  C   LIG    1       -0.819  -3.593  -1.330  0.00  0.00    +0.032 C 
ATOM     17  C   LIG    1       -0.311  -2.168  -1.100  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.950  -2.246  -0.345  0.00  0.00    -0.307 NA
ATOM     19  H   LIG    1        0.698  -2.483   0.620  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.676  -0.971  -0.342  0.00  0.00    +0.086 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.968  -1.094   0.477  0.00  0.00    +0.050 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.736   0.206   0.496  0.00  0.00    -0.046 A 
ATOM     23  C   LIG    1        3.453   1.183   1.460  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        4.147   2.393   1.464  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.127   2.640   0.504  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.412   1.677  -0.462  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.718   0.465  -0.469  0.00  0.00    +0.003 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6