REMARK  Name = BDB012715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.158  -0.394  -0.083  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1       -0.712  -1.563  -0.771  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.643  -1.348  -1.030  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        1.435  -2.292  -1.704  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        0.822  -3.479  -2.117  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -0.524  -3.704  -1.864  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1       -1.083  -4.851  -2.273  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        0.909  -0.108  -0.496  0.00  0.00    -0.259 N 
ATOM      9  C   LIG    1       -1.310  -2.767  -1.197  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1       -0.160   0.475   0.074  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.179   0.614  -0.458  0.00  0.00    +0.108 C 
ATOM     12  C   LIG    1        3.243  -0.109   0.379  0.00  0.00    +0.032 C 
ATOM     13  C   LIG    1        4.524   0.717   0.541  0.00  0.00    +0.077 C 
ATOM     14  C   LIG    1        4.754   1.705  -0.594  0.00  0.00    +0.249 C 
ATOM     15  F   LIG    1        6.078   1.965  -0.707  0.00  0.00    -0.206 F 
ATOM     16  F   LIG    1        4.154   2.884  -0.286  0.00  0.00    -0.206 F 
ATOM     17  C   LIG    1        4.205   1.215  -1.920  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1        2.690   0.996  -1.862  0.00  0.00    +0.032 C 
ENDBRANCH   8  11
BRANCH   1  19
ATOM     19  N   LIG    1       -2.442  -0.254   0.328  0.00  0.00    -0.296 N 
ATOM     20  H   LIG    1       -3.079  -1.028   0.120  0.00  0.00    +0.154 HD
BRANCH  19  22
ATOM     21  C   LIG    1       -4.478   0.701   1.340  0.00  0.00    +0.083 A 
ATOM     22  C   LIG    1       -3.106   0.790   1.014  0.00  0.00    +0.065 A 
ATOM     23  C   LIG    1       -2.477   1.968   1.419  0.00  0.00    +0.134 A 
ATOM     24  N   LIG    1       -3.077   2.993   2.080  0.00  0.00    -0.261 NA
ATOM     25  C   LIG    1       -4.383   2.857   2.365  0.00  0.00    +0.111 A 
ATOM     26  C   LIG    1       -5.122   1.744   2.022  0.00  0.00    +0.036 A 
BRANCH  21  28
ATOM     27  O   LIG    1       -4.806  -1.477   0.368  0.00  0.00    -0.245 OA
ATOM     28  C   LIG    1       -5.253  -0.509   0.960  0.00  0.00    +0.339 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -6.544  -0.458   1.332  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -6.924  -1.307   1.020  0.00  0.00    +0.295 HD
ENDBRANCH  28  29
ENDBRANCH  21  28
ENDBRANCH  19  22
ENDBRANCH   1  19
TORSDOF 5