REMARK  Name = BDB031222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.113   1.356  -1.300  0.00  0.00    +0.115 A 
ATOM      2  N   LIG    1       -0.491   0.104  -0.811  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.658  -0.479  -0.280  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1        1.667   0.449  -0.518  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.987   0.180  -0.124  0.00  0.00    +0.043 A 
ATOM      6  C   LIG    1        3.270  -1.040   0.504  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        2.254  -1.985   0.694  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        0.934  -1.728   0.301  0.00  0.00    +0.029 A 
ATOM      9  N   LIG    1        1.183   1.553  -1.155  0.00  0.00    -0.232 NA
ENDROOT
BRANCH   2  10
ATOM     10  C   LIG    1       -1.790  -0.479  -0.842  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -2.265  -1.172   0.285  0.00  0.00    +0.054 A 
ATOM     12  C   LIG    1       -3.527  -1.711   0.191  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -4.307  -1.590  -0.957  0.00  0.00    +0.067 A 
ATOM     14  N   LIG    1       -5.514  -2.238  -0.724  0.00  0.00    -0.306 N 
ATOM     15  H   LIG    1       -6.293  -2.332  -1.355  0.00  0.00    +0.170 HD
ATOM     16  C   LIG    1       -5.500  -2.766   0.575  0.00  0.00    +0.325 A 
ATOM     17  O   LIG    1       -6.392  -3.394   1.116  0.00  0.00    -0.247 OA
ATOM     18  C   LIG    1       -3.869  -0.924  -2.075  0.00  0.00    +0.030 A 
ATOM     19  N   LIG    1       -4.257  -2.429   1.131  0.00  0.00    -0.306 N 
ATOM     20  H   LIG    1       -3.976  -2.684   2.064  0.00  0.00    +0.170 HD
ATOM     21  C   LIG    1       -2.587  -0.361  -2.011  0.00  0.00    +0.028 A 
ENDBRANCH   2  10
BRANCH   6  22
ATOM     22  C   LIG    1        4.649  -1.389   0.947  0.00  0.00    +0.244 C 
ATOM     23  N   LIG    1        5.488  -0.334   1.241  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        5.092   0.589   1.361  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        6.802  -0.572   1.784  0.00  0.00    +0.128 C 
ATOM     26  O   LIG    1        4.976  -2.565   1.067  0.00  0.00    -0.270 OA
ENDBRANCH   6  22
BRANCH   1  27
ATOM     27  C   LIG    1       -1.063   2.391  -1.830  0.00  0.00    +0.074 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -0.678   4.192  -0.069  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1       -0.612   3.829  -1.547  0.00  0.00    +0.004 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 4