REMARK  Name = BDB021144
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.538  -0.181   0.719  0.00  0.00    -0.222 N 
ATOM      2  C   LIG    1        1.790   0.336  -0.304  0.00  0.00    +0.255 C 
ATOM      3  O   LIG    1        2.096   0.508  -1.468  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1        0.491   0.690   0.266  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        0.539   0.414   1.615  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -0.531   0.669   2.443  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -1.683   1.210   1.853  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -1.768   1.463   0.461  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -0.632   1.228  -0.334  0.00  0.00    +0.036 A 
ATOM     10  C   LIG    1        1.865  -0.124   1.909  0.00  0.00    +0.254 C 
ATOM     11  O   LIG    1        2.244  -0.450   3.018  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  18
ATOM     12  O   LIG    1        7.750  -0.495  -0.985  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        6.612  -0.519  -0.524  0.00  0.00    +0.219 C 
ATOM     14  N   LIG    1        6.061   0.595   0.059  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.624   1.435   0.027  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.787   0.745   0.561  0.00  0.00    +0.240 C 
ATOM     17  O   LIG    1        4.407   1.838   0.976  0.00  0.00    -0.273 OA
ATOM     18  C   LIG    1        3.946  -0.534   0.627  0.00  0.00    +0.171 C 
ATOM     19  C   LIG    1        4.288  -1.450  -0.545  0.00  0.00    +0.041 C 
ATOM     20  C   LIG    1        5.774  -1.776  -0.508  0.00  0.00    +0.098 C 
ENDBRANCH   1  18
BRANCH   8  21
ATOM     21  N   LIG    1       -2.881   2.060  -0.139  0.00  0.00    -0.340 N 
ATOM     22  H   LIG    1       -2.855   1.970  -1.152  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.231   1.810   0.361  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.764   0.499  -0.168  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -5.347   0.432  -1.444  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.823  -0.782  -1.943  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -5.718  -1.941  -1.177  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.134  -1.889   0.088  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.658  -0.677   0.589  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 4