REMARK  Name = BDB051693
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.812  -0.937  -1.259  0.00  0.00    +0.161 A 
ATOM      2  C   LIG    1       -2.112   0.293  -1.847  0.00  0.00    +0.158 A 
ATOM      3  N   LIG    1       -1.221   1.297  -1.905  0.00  0.00    -0.236 NA
ATOM      4  C   LIG    1        0.014   1.057  -1.391  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        0.418  -0.145  -0.815  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.530  -1.167  -0.763  0.00  0.00    +0.059 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.759  -0.344  -0.298  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1        2.603   0.654   0.146  0.00  0.00    +0.117 A 
ATOM      9  N   LIG    1        3.754   0.038   0.559  0.00  0.00    -0.268 N 
ATOM     10  N   LIG    1        3.715  -1.299   0.416  0.00  0.00    -0.179 NA
ATOM     11  C   LIG    1        2.506  -1.528  -0.101  0.00  0.00    +0.143 A 
BRANCH   9  12
ATOM     12  C   LIG    1        4.948   0.664   1.113  0.00  0.00    +0.110 C 
ATOM     13  C   LIG    1        5.617   1.611   0.111  0.00  0.00    +0.042 C 
ATOM     14  C   LIG    1        6.844   2.266   0.736  0.00  0.00    +0.083 C 
ATOM     15  N   LIG    1        6.511   2.961   1.979  0.00  0.00    -0.316 NA
ATOM     16  H   LIG    1        5.862   3.724   1.784  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        5.923   2.053   2.964  0.00  0.00    +0.083 C 
ATOM     18  C   LIG    1        4.658   1.386   2.433  0.00  0.00    +0.042 C 
ENDBRANCH   9  12
ENDBRANCH   5   7
BRANCH   2  19
ATOM     19  N   LIG    1       -3.371   0.560  -2.386  0.00  0.00    -0.340 N 
ATOM     20  H   LIG    1       -3.317   1.475  -2.827  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -3.631  -0.172  -3.039  0.00  0.00    +0.144 HD
ENDBRANCH   2  19
BRANCH   1  22
ATOM     22  O   LIG    1       -2.723  -1.959  -1.205  0.00  0.00    -0.481 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -3.581  -3.129   0.715  0.00  0.00    +0.057 C 
ATOM     24  C   LIG    1       -3.615  -1.821  -0.079  0.00  0.00    +0.204 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.038  -1.485  -0.514  0.00  0.00    +0.032 A 
ATOM     26  C   LIG    1       -5.787  -0.514   0.191  0.00  0.00    +0.084 A 
ATOM     27 CL   LIG    1       -5.170   0.294   1.596  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -7.088  -0.179  -0.208  0.00  0.00    +0.142 A 
ATOM     29  F   LIG    1       -7.795   0.742   0.463  0.00  0.00    -0.204 F 
ATOM     30  C   LIG    1       -7.684  -0.796  -1.297  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -6.978  -1.769  -1.993  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -5.674  -2.116  -1.607  0.00  0.00    +0.049 A 
ATOM     33 CL   LIG    1       -4.931  -3.365  -2.549  0.00  0.00    -0.083 Cl
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 6