REMARK  Name = BDB014724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.578   4.662  -0.598  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -5.077   3.386   0.033  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.163   2.348   0.173  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.855   2.351  -0.517  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -1.938   1.345   0.078  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -0.568   1.060  -0.170  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -0.151   0.056   0.610  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -1.229  -0.312   1.329  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -2.327   0.433   1.035  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -3.688   0.336   1.612  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -4.671   1.048   0.661  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.246   3.303   0.410  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.168   1.759  -1.071  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.269   2.555  -1.517  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.478   1.552  -1.561  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.233   0.398  -1.293  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.547   0.234  -1.771  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        4.098   1.266  -2.536  0.00  0.00    +0.131 A 
ATOM     19  F   LIG    1        5.347   1.179  -3.021  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1        3.378   2.424  -2.811  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        2.079   2.567  -2.323  0.00  0.00    +0.026 A 
BRANCH  17  22
ATOM     22  C   LIG    1        4.303  -0.977  -1.485  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1        4.062  -1.839  -0.433  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        4.991  -2.834  -0.525  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        5.139  -3.968   0.354  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        5.832  -2.688  -1.563  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        5.417  -1.556  -2.140  0.00  0.00    +0.143 A 
ENDBRANCH  17  22
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  28
ATOM     28  C   LIG    1       -1.108  -1.391   2.301  0.00  0.00    +0.147 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.375  -2.732   1.682  0.00  0.00    +0.010 C 
ATOM     30  C   LIG    1       -0.797  -3.981   2.301  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1       -0.274  -3.488   0.980  0.00  0.00    +0.005 C 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 5