REMARK  Name = BDB063642
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.334   0.510  -0.868  0.00  0.00    +0.270 C 
ATOM      2  N   LIG    1       -1.339   0.011  -0.069  0.00  0.00    -0.274 N 
ATOM      3  H   LIG    1       -1.028  -0.389   0.819  0.00  0.00    +0.155 HD
ATOM      4  O   LIG    1       -0.498   1.160  -1.895  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -2.695   0.080  -0.219  0.00  0.00    +0.122 A 
ATOM      6  C   LIG    1       -3.575  -0.296   0.936  0.00  0.00    +0.293 A 
ATOM      7  O   LIG    1       -3.116  -0.769   1.966  0.00  0.00    -0.264 OA
ATOM      8  N   LIG    1       -4.894  -0.079   0.525  0.00  0.00    -0.213 N 
ATOM      9  N   LIG    1       -4.885   0.332  -0.840  0.00  0.00    -0.282 N 
ATOM     10  C   LIG    1       -5.737   1.505  -1.100  0.00  0.00    +0.171 C 
ATOM     11  C   LIG    1       -3.531   0.395  -1.223  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1       -3.196   0.722  -2.643  0.00  0.00    +0.067 C 
BRANCH   8  13
ATOM     13  C   LIG    1       -6.011  -0.757   1.076  0.00  0.00    +0.102 A 
ATOM     14  C   LIG    1       -6.156  -0.911   2.461  0.00  0.00    +0.149 A 
ATOM     15  F   LIG    1       -5.293  -0.339   3.313  0.00  0.00    -0.203 F 
ATOM     16  C   LIG    1       -7.247  -1.587   3.007  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -8.224  -2.122   2.171  0.00  0.00    +0.003 A 
ATOM     18  C   LIG    1       -8.109  -1.969   0.792  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -7.014  -1.288   0.248  0.00  0.00    +0.031 A 
ENDBRANCH   8  13
ENDBRANCH   2   5
BRANCH   1  23
ATOM     20  C   LIG    1        3.197   0.069  -0.027  0.00  0.00    +0.171 A 
ATOM     21  C   LIG    1        2.275   0.599  -0.906  0.00  0.00    +0.029 A 
ATOM     22  C   LIG    1        2.518   1.388  -2.137  0.00  0.00    +0.050 C 
ATOM     23  C   LIG    1        1.013   0.222  -0.350  0.00  0.00    +0.171 A 
ATOM     24  N   LIG    1        1.181  -0.478   0.787  0.00  0.00    -0.073 NA
ATOM     25  O   LIG    1        2.543  -0.574   0.977  0.00  0.00    -0.354 OA
BRANCH  20  30
ATOM     26  C   LIG    1        7.471  -0.128   0.060  0.00  0.00    +0.120 A 
ATOM     27  C   LIG    1        6.774   0.369   1.164  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.370   0.462   1.169  0.00  0.00    -0.036 A 
ATOM     29  C   LIG    1        4.687   1.005   2.396  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        4.651   0.025   0.039  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        5.361  -0.471  -1.067  0.00  0.00    +0.015 A 
ATOM     32  C   LIG    1        6.758  -0.546  -1.059  0.00  0.00    +0.046 A 
BRANCH  26  34
ATOM     33  C   LIG    1        9.585  -0.671  -0.882  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        8.830  -0.151   0.205  0.00  0.00    -0.495 OA
ENDBRANCH  26  34
ENDBRANCH  20  30
ENDBRANCH   1  23
TORSDOF 5