REMARK  Name = BDB012637
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.828  -0.716   1.120  0.00  0.00    +0.115 A 
ATOM      2  C   LIG    1        0.285  -1.514   1.378  0.00  0.00    +0.081 A 
ATOM      3  N   LIG    1       -0.254  -2.753   1.663  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1        0.472  -3.956   1.996  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -1.613  -2.663   1.576  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -1.997  -1.448   1.272  0.00  0.00    -0.234 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        1.723  -1.247   1.353  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1        2.537  -1.685   0.293  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1        3.917  -1.460   0.311  0.00  0.00    +0.084 A 
ATOM     10  C   LIG    1        4.474  -0.759   1.373  0.00  0.00    +0.127 A 
ATOM     11  F   LIG    1        5.798  -0.540   1.392  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        3.686  -0.296   2.421  0.00  0.00    +0.039 A 
ATOM     13  C   LIG    1        2.310  -0.542   2.413  0.00  0.00    +0.016 A 
BRANCH   8  14
ATOM     14  O   LIG    1        1.966  -2.397  -0.734  0.00  0.00    -0.491 OA
BRANCH  14  15
ATOM     15  C   LIG    1        2.079  -1.696  -1.978  0.00  0.00    +0.232 C 
BRANCH  15  16
ATOM     16  C   LIG    1        0.905  -2.074  -2.833  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -0.378  -1.282  -2.764  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1        0.487  -1.208  -3.993  0.00  0.00    +0.007 C 
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   8  14
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1       -2.067   2.663   0.083  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -2.057   1.310   0.430  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1       -0.845   0.698   0.738  0.00  0.00    +0.092 A 
ATOM     22  N   LIG    1        0.334   1.371   0.704  0.00  0.00    -0.253 NA
ATOM     23  C   LIG    1        0.301   2.675   0.363  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1       -0.861   3.361   0.052  0.00  0.00    +0.030 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -3.792   4.518   0.150  0.00  0.00    +0.239 A 
ATOM     26  C   LIG    1       -3.317   3.298  -0.266  0.00  0.00    +0.152 A 
ATOM     27  N   LIG    1       -4.262   2.719  -1.081  0.00  0.00    -0.126 NA
ATOM     28  N   LIG    1       -5.289   3.556  -1.194  0.00  0.00    -0.065 NA
ATOM     29  N   LIG    1       -5.011   4.633  -0.443  0.00  0.00    -0.230 N 
ATOM     30  H   LIG    1       -5.695   5.379  -0.377  0.00  0.00    +0.193 HD
BRANCH  25  32
ATOM     31  C   LIG    1       -2.733   6.271   1.788  0.00  0.00    +0.137 C 
ATOM     32  N   LIG    1       -3.191   5.482   1.054  0.00  0.00    -0.328 NA
ENDBRANCH  25  32
ENDBRANCH  19  26
ENDBRANCH   1  21
TORSDOF 7