REMARK  Name = BDB014963
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.176  -1.027  -0.388  0.00  0.00    -0.296 N 
ATOM      2  H   LIG    1       -0.172  -1.871  -0.951  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -3.493  -5.470  -0.956  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.571  -4.475  -0.603  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.168  -3.175  -0.320  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.807  -2.689  -0.626  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.520  -1.425   0.103  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.330  -0.661   0.218  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.540   0.419   0.979  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.831   0.355   1.353  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -3.462  -0.734   0.833  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.875  -1.153   1.003  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -5.223  -2.160  -0.112  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -5.748  -4.834  -0.562  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.409   1.374   2.217  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -3.994   2.529   1.411  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -3.189   3.697   1.646  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -2.015   3.283   2.354  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.426   2.063   3.147  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.108  -0.432  -0.407  0.00  0.00    +0.068 A 
ATOM     21  C   LIG    1        2.118  -1.049  -1.164  0.00  0.00    +0.145 A 
ATOM     22  F   LIG    1        1.828  -2.176  -1.838  0.00  0.00    -0.204 F 
ATOM     23  C   LIG    1        3.410  -0.536  -1.248  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1        3.733   0.635  -0.560  0.00  0.00    -0.012 A 
ATOM     25  C   LIG    1        2.745   1.264   0.206  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        1.448   0.736   0.279  0.00  0.00    +0.027 A 
BRANCH  24  27
ATOM     27  C   LIG    1        5.068   1.192  -0.641  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        5.524   2.514  -0.931  0.00  0.00    +0.136 A 
ATOM     29  N   LIG    1        6.869   2.575  -0.898  0.00  0.00    -0.170 NA
ATOM     30  N   LIG    1        7.254   1.330  -0.579  0.00  0.00    -0.273 N 
ATOM     31  C   LIG    1        8.661   1.039  -0.436  0.00  0.00    +0.172 C 
ATOM     32  C   LIG    1        6.217   0.460  -0.429  0.00  0.00    +0.117 A 
BRANCH  28  33
ATOM     33  C   LIG    1        4.678   3.708  -1.266  0.00  0.00    +0.392 C 
ATOM     34  F   LIG    1        5.397   4.748  -1.773  0.00  0.00    -0.202 F 
ATOM     35  F   LIG    1        4.046   4.192  -0.158  0.00  0.00    -0.202 F 
ENDBRANCH  28  33
ENDBRANCH  24  27
ENDBRANCH   1  20
TORSDOF 5