REMARK  Name = BDB013121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.466   0.719  -1.794  0.00  0.00    +0.203 A 
ATOM      2  N   LIG    1       -0.579  -0.041  -2.571  0.00  0.00    -0.253 N 
ATOM      3  C   LIG    1        0.741  -0.236  -2.243  0.00  0.00    +0.173 A 
ATOM      4  N   LIG    1        1.305  -1.002  -3.154  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        0.352  -1.308  -4.099  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        1.218   0.387  -1.056  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.303   1.097  -0.359  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1       -0.766  -0.718  -3.741  0.00  0.00    +0.232 A 
ATOM      9  N   LIG    1       -1.020   1.284  -0.703  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        2.600   0.270  -0.544  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        3.316   1.364  -0.067  0.00  0.00    +0.119 A 
ATOM     12  N   LIG    1        4.583   1.311   0.415  0.00  0.00    -0.259 NA
ATOM     13  C   LIG    1        5.216   0.112   0.421  0.00  0.00    +0.044 A 
ATOM     14  C   LIG    1        4.580  -1.031  -0.062  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        3.272  -0.952  -0.545  0.00  0.00    +0.012 A 
BRANCH  13  16
ATOM     16  C   LIG    1        6.634   0.045   0.938  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        6.999   0.739   2.230  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1        6.954  -0.758   2.179  0.00  0.00    +0.010 C 
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  19
ATOM     19  N   LIG    1       -2.776   0.850  -2.207  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1       -3.133   0.192  -2.891  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.823   1.334  -1.323  0.00  0.00    +0.143 C 
BRANCH  21  24
ATOM     22  F   LIG    1       -5.233  -0.836  -2.436  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -5.079  -0.837  -1.103  0.00  0.00    +0.129 A 
ATOM     24  C   LIG    1       -4.373   0.211  -0.493  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.224   0.144   0.888  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.600   1.099   1.837  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -3.544   0.212   3.080  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -4.551  -0.820   2.966  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -4.768  -0.909   1.615  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -5.477  -1.932   1.018  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -5.628  -1.896  -0.367  0.00  0.00    +0.042 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5