REMARK  Name = BDB056757
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.663  -1.722   0.112  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.209  -0.364   0.296  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        1.034   0.117  -0.045  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.996   1.456   0.332  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        2.122   2.267   0.126  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        3.265   1.705  -0.456  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        3.284   0.353  -0.812  0.00  0.00    +0.131 A 
ATOM      8  N   LIG    1       -0.221   1.780   0.873  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.163  -0.467  -0.635  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -0.943   0.675   0.831  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.377  -0.229  -1.424  0.00  0.00    -0.453 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.598  -0.021  -0.826  0.00  0.00    +0.166 A 
ATOM     13  C   LIG    1        5.859  -0.373   0.502  0.00  0.00    +0.166 A 
ATOM     14  F   LIG    1        4.906  -0.926   1.265  0.00  0.00    -0.202 F 
ATOM     15  C   LIG    1        7.123  -0.173   1.053  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        8.140   0.368   0.265  0.00  0.00    +0.041 A 
ATOM     17  C   LIG    1        7.879   0.693  -1.064  0.00  0.00    +0.127 A 
ATOM     18  F   LIG    1        8.860   1.202  -1.820  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1        6.620   0.496  -1.621  0.00  0.00    +0.087 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  20
ATOM     20  C   LIG    1       -2.352   0.546   1.315  0.00  0.00    +0.303 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -3.132   0.060   0.222  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.467  -0.128   0.446  0.00  0.00    +0.122 A 
ATOM     23  C   LIG    1       -5.176  -0.603  -0.661  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1       -6.552  -0.837  -0.568  0.00  0.00    +0.062 A 
ATOM     25  C   LIG    1       -7.220  -0.627   0.641  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -6.514  -0.151   1.745  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -5.142   0.103   1.647  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -7.324  -1.341  -1.724  0.00  0.00    +0.337 C 
ATOM     29  O   LIG    1       -8.193  -2.189  -1.624  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1       -6.994  -0.736  -2.884  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1       -6.404   0.035  -2.790  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 7