REMARK  Name = BDB014901
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.950   4.033   3.502  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.719   3.691   2.250  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.064   2.925   1.292  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.606   2.693   1.330  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.228   1.556   0.449  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.988   0.894   0.258  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.114  -0.081  -0.648  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.407  -0.064  -1.020  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -3.108   0.925  -0.405  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.539   1.282  -0.556  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.753   2.703   0.004  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -5.881   4.076   2.117  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   8  13
ATOM     13  C   LIG    1       -2.893  -1.040  -1.988  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -2.629  -2.482  -1.544  0.00  0.00    +0.055 C 
ATOM     15  C   LIG    1       -3.107  -3.449  -2.616  0.00  0.00    +0.162 C 
ATOM     16  O   LIG    1       -2.489  -3.159  -3.868  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1       -2.805  -1.854  -4.349  0.00  0.00    +0.162 C 
ATOM     18  C   LIG    1       -2.313  -0.788  -3.383  0.00  0.00    +0.055 C 
ENDBRANCH   8  13
BRANCH   6  19
ATOM     19  N   LIG    1        0.134   1.253   0.925  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1        0.082   2.029   1.579  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        1.451   0.737   0.898  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1        2.425   1.348   1.698  0.00  0.00    +0.145 A 
ATOM     23  F   LIG    1        2.075   2.396   2.463  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        3.743   0.904   1.732  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1        4.137  -0.189   0.950  0.00  0.00    -0.004 A 
ATOM     26  C   LIG    1        3.191  -0.818   0.117  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1        1.856  -0.348   0.116  0.00  0.00    +0.036 A 
BRANCH  25  28
ATOM     28  C   LIG    1        5.518  -0.617   1.042  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        5.932  -1.868   1.443  0.00  0.00    +0.116 A 
ATOM     30  N   LIG    1        7.296  -1.842   1.418  0.00  0.00    -0.274 N 
ATOM     31  C   LIG    1        8.190  -2.932   1.724  0.00  0.00    +0.172 C 
ATOM     32  N   LIG    1        7.805  -0.642   1.082  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.720   0.101   0.846  0.00  0.00    +0.142 A 
ENDBRANCH  25  28
BRANCH  26  34
ATOM     34  C   LIG    1        3.532  -1.987  -0.777  0.00  0.00    +0.372 C 
ATOM     35  F   LIG    1        4.688  -1.824  -1.479  0.00  0.00    -0.204 F 
ATOM     36  F   LIG    1        3.662  -3.157  -0.090  0.00  0.00    -0.204 F 
ENDBRANCH  26  34
ENDBRANCH  19  21
ENDBRANCH   6  19
TORSDOF 5