REMARK  Name = BDB063343
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        4.339  -0.325  -1.533  0.00  0.00    -0.342 N 
ATOM      2  C   LIG    1        2.999  -0.421  -1.204  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        2.353   0.654  -1.821  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        0.961   0.807  -1.652  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        0.236  -0.106  -0.864  0.00  0.00    -0.012 A 
ATOM      6  C   LIG    1        0.914  -1.179  -0.274  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1        3.336   1.388  -2.536  0.00  0.00    +0.027 A 
ATOM      8  C   LIG    1        2.295  -1.355  -0.429  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        4.546   0.762  -2.348  0.00  0.00    +0.087 A 
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -1.229   0.036  -0.679  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1       -2.167  -1.027  -0.801  0.00  0.00    +0.173 A 
ATOM     12  N   LIG    1       -3.488  -0.722  -0.585  0.00  0.00    -0.253 N 
ATOM     13  C   LIG    1       -4.177  -1.874  -0.826  0.00  0.00    +0.232 A 
ATOM     14  N   LIG    1       -3.336  -2.844  -1.105  0.00  0.00    -0.137 NA
ATOM     15  C   LIG    1       -3.932   0.552  -0.222  0.00  0.00    +0.203 A 
ATOM     16  N   LIG    1       -3.075   1.531  -0.119  0.00  0.00    -0.223 NA
ATOM     17  N   LIG    1       -2.065  -2.309  -1.091  0.00  0.00    -0.129 NA
ATOM     18  C   LIG    1       -1.742   1.242  -0.340  0.00  0.00    +0.126 A 
BRANCH  15  19
ATOM     19  N   LIG    1       -5.270   0.786   0.006  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1       -5.415   1.798  -0.000  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -5.866   0.301   1.253  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -7.284   0.719   1.421  0.00  0.00    +0.122 A 
ATOM     23  O   LIG    1       -7.499   2.051   1.629  0.00  0.00    -0.466 OA
ATOM     24  C   LIG    1       -8.841   2.221   1.748  0.00  0.00    +0.195 A 
ATOM     25  C   LIG    1       -9.492   1.018   1.616  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -8.486   0.044   1.402  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  15  19
ENDBRANCH   5  10
BRANCH   1  27
ATOM     27  C   LIG    1        5.389  -1.252  -1.131  0.00  0.00    +0.157 C 
BRANCH  27  33
ATOM     28  F   LIG    1        8.525   0.870   3.065  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1        7.778   0.366   2.073  0.00  0.00    +0.158 A 
ATOM     30  C   LIG    1        6.509  -0.132   2.336  0.00  0.00    +0.159 A 
ATOM     31  F   LIG    1        6.021  -0.112   3.584  0.00  0.00    -0.202 F 
ATOM     32  C   LIG    1        5.730  -0.658   1.308  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1        6.226  -0.692  -0.005  0.00  0.00    -0.025 A 
ATOM     34  C   LIG    1        7.512  -0.181  -0.259  0.00  0.00    +0.008 A 
ATOM     35  C   LIG    1        8.286   0.345   0.779  0.00  0.00    +0.041 A 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 6