REMARK  Name = BDB046635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.364  -0.146   0.847  0.00  0.00    +0.132 C 
ATOM      2  C   LIG    1        0.840   0.633   0.267  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        0.639   0.931  -1.173  0.00  0.00    -0.335 N 
ATOM      4  H   LIG    1        0.658   0.036  -1.685  0.00  0.00    +0.147 HD
ATOM      5  C   LIG    1       -0.583   1.579  -1.448  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.686   1.501  -0.591  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1       -2.879   2.151  -0.880  0.00  0.00    +0.054 A 
ATOM      8  C   LIG    1       -3.018   2.856  -2.074  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -1.947   2.885  -2.959  0.00  0.00    +0.126 A 
ATOM     10  F   LIG    1       -2.072   3.544  -4.118  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -3.968   2.079   0.104  0.00  0.00    +0.273 A 
ATOM     12  O   LIG    1       -5.035   2.648  -0.087  0.00  0.00    -0.266 OA
ATOM     13  N   LIG    1       -3.708   1.353   1.246  0.00  0.00    -0.242 N 
ATOM     14  H   LIG    1       -4.458   1.293   1.931  0.00  0.00    +0.192 HD
ATOM     15  N   LIG    1       -2.575   0.638   1.510  0.00  0.00    -0.174 NA
ATOM     16  C   LIG    1       -0.741   2.249  -2.663  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1       -1.613   0.695   0.635  0.00  0.00    +0.084 A 
ENDROOT
BRANCH   1  20
ATOM     18  C   LIG    1       -2.090  -2.527   1.986  0.00  0.00    +0.174 C 
ATOM     19  N   LIG    1       -1.367  -2.488   0.740  0.00  0.00    -0.251 N 
ATOM     20  C   LIG    1       -0.613  -1.478   0.195  0.00  0.00    +0.138 A 
ATOM     21  N   LIG    1       -0.167  -1.877  -0.983  0.00  0.00    -0.219 NA
ATOM     22  C   LIG    1       -0.663  -3.141  -1.104  0.00  0.00    +0.245 A 
ATOM     23  N   LIG    1       -1.398  -3.558  -0.075  0.00  0.00    -0.158 NA
ENDBRANCH   1  20
BRANCH   2  24
ATOM     24  C   LIG    1        2.240   0.047   0.463  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        3.337   0.710  -0.125  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1        4.645   0.242   0.035  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        4.887  -0.900   0.797  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        3.816  -1.564   1.400  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        2.507  -1.091   1.239  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  C   LIG    1        6.224  -1.387   0.965  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1        7.307  -1.782   1.107  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH   2  24
TORSDOF 3