REMARK  Name = BDB014954
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.063   1.087   0.105  0.00  0.00    -0.298 N 
ATOM      2  H   LIG    1       -0.071   2.096   0.023  0.00  0.00    +0.154 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -5.984   4.480  -0.926  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -4.531   4.160  -0.690  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.145   2.829  -0.781  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -2.700   2.571  -0.636  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.441   1.129  -0.387  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.244   0.440  -0.056  0.00  0.00    +0.150 A 
ATOM      9  N   LIG    1       -1.481  -0.871   0.059  0.00  0.00    -0.155 NA
ATOM     10  N   LIG    1       -2.797  -1.024  -0.165  0.00  0.00    -0.261 N 
ATOM     11  C   LIG    1       -3.410   0.152  -0.467  0.00  0.00    +0.048 A 
ATOM     12  C   LIG    1       -4.834   0.402  -0.789  0.00  0.00    +0.074 C 
ATOM     13  C   LIG    1       -4.957   1.790  -1.454  0.00  0.00    +0.114 C 
ATOM     14  O   LIG    1       -3.735   5.060  -0.417  0.00  0.00    -0.276 OA
BRANCH  10  15
ATOM     15  C   LIG    1       -3.390  -2.336  -0.087  0.00  0.00    +0.135 C 
ATOM     16  C   LIG    1       -3.072  -3.112   1.180  0.00  0.00    +0.186 C 
ATOM     17  O   LIG    1       -3.316  -4.497   0.869  0.00  0.00    -0.378 OA
ATOM     18  C   LIG    1       -3.327  -4.640  -0.560  0.00  0.00    +0.162 C 
ATOM     19  C   LIG    1       -2.929  -3.305  -1.156  0.00  0.00    +0.057 C 
ENDBRANCH  10  15
ENDBRANCH   1   8
BRANCH   1  20
ATOM     20  C   LIG    1        1.238   0.611   0.386  0.00  0.00    +0.032 A 
ATOM     21  C   LIG    1        1.567  -0.743   0.494  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1        2.875  -1.155   0.780  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1        3.891  -0.214   0.963  0.00  0.00    -0.014 A 
ATOM     24  C   LIG    1        3.578   1.144   0.869  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        2.268   1.547   0.582  0.00  0.00    +0.024 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.236  -0.650   1.274  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1        6.387  -0.292   0.592  0.00  0.00    +0.149 A 
ATOM     28  N   LIG    1        7.415  -0.911   1.256  0.00  0.00    -0.262 N 
ATOM     29  C   LIG    1        8.834  -0.820   0.989  0.00  0.00    +0.173 C 
ATOM     30  N   LIG    1        7.002  -1.692   2.272  0.00  0.00    -0.179 NA
ATOM     31  C   LIG    1        5.679  -1.531   2.283  0.00  0.00    +0.143 A 
BRANCH  27  32
ATOM     32  C   LIG    1        6.623   0.561  -0.588  0.00  0.00    +0.434 C 
ATOM     33  F   LIG    1        6.897   1.839  -0.221  0.00  0.00    -0.164 F 
ATOM     34  F   LIG    1        7.681   0.136  -1.327  0.00  0.00    -0.164 F 
ATOM     35  F   LIG    1        5.565   0.610  -1.432  0.00  0.00    -0.164 F 
ENDBRANCH  27  32
ENDBRANCH  23  26
ENDBRANCH   1  20
TORSDOF 5