REMARK  Name = BDB012507
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.652   0.064   1.239  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1        0.421  -0.126   0.187  0.00  0.00    +0.160 C 
ATOM      3  C   LIG    1        1.619  -0.019   1.045  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1        1.337   0.332   2.329  0.00  0.00    +0.061 A 
ATOM      5  C   LIG    1        2.542   0.487   3.010  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.534   0.174   2.091  0.00  0.00    +0.096 A 
ATOM      7  N   LIG    1        2.959  -0.258   0.886  0.00  0.00    -0.272 N 
ATOM      8  C   LIG    1        3.581  -0.795  -0.267  0.00  0.00    +0.321 C 
ATOM      9  N   LIG    1        4.945  -1.049  -0.123  0.00  0.00    -0.289 N 
ATOM     10  C   LIG    1        5.373  -2.056   0.843  0.00  0.00    +0.133 C 
ATOM     11  C   LIG    1        5.702  -1.054  -1.361  0.00  0.00    +0.133 C 
ATOM     12  O   LIG    1        2.922  -0.949  -1.286  0.00  0.00    -0.249 OA
ATOM     13  C   LIG    1       -0.088   0.417   2.503  0.00  0.00    +0.254 C 
ATOM     14  O   LIG    1       -0.623   0.707   3.559  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  23
ATOM     15  C   LIG    1       -5.351   0.340   2.881  0.00  0.00    +0.047 C 
ATOM     16  C   LIG    1       -4.373   0.026   1.777  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1       -4.798  -0.428   0.491  0.00  0.00    +0.164 A 
ATOM     18  N   LIG    1       -3.829  -0.682  -0.460  0.00  0.00    -0.285 N 
ATOM     19  C   LIG    1       -4.524  -1.086  -1.580  0.00  0.00    +0.135 A 
ATOM     20  N   LIG    1       -5.815  -1.085  -1.316  0.00  0.00    -0.134 NA
ATOM     21  C   LIG    1       -3.892  -1.453  -2.866  0.00  0.00    +0.088 C 
ATOM     22  C   LIG    1       -2.465  -0.534  -0.235  0.00  0.00    +0.118 A 
ATOM     23  C   LIG    1       -2.013  -0.105   0.964  0.00  0.00    +0.055 A 
ATOM     24  N   LIG    1       -5.987  -0.671  -0.016  0.00  0.00    -0.129 NA
ATOM     25  C   LIG    1       -3.040   0.173   1.981  0.00  0.00    +0.032 A 
ENDBRANCH   1  23
BRANCH   2  26
ATOM     26  C   LIG    1        0.364   0.956  -0.888  0.00  0.00    -0.021 A 
ATOM     27  C   LIG    1        0.485   0.601  -2.244  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1        0.430   1.571  -3.248  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        0.255   2.910  -2.909  0.00  0.00    +0.041 A 
ATOM     30 CL   LIG    1        0.188   4.104  -4.145  0.00  0.00    -0.084 Cl
ATOM     31  C   LIG    1        0.138   3.287  -1.574  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        0.195   2.317  -0.570  0.00  0.00    +0.007 A 
ENDBRANCH   2  26
TORSDOF 2