REMARK  Name = BDB062813
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.345   1.386  -0.469  0.00  0.00    +0.170 A 
ATOM      2  N   LIG    1       -1.171   0.349  -0.511  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.663  -0.816  -0.128  0.00  0.00    +0.223 A 
ATOM      4  N   LIG    1        0.582  -0.939   0.316  0.00  0.00    -0.181 NA
ATOM      5  C   LIG    1        1.345   0.148   0.341  0.00  0.00    +0.223 A 
ATOM      6  N   LIG    1        0.916   1.338  -0.056  0.00  0.00    -0.194 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.444  -1.955  -0.229  0.00  0.00    -0.285 N 
ATOM      8  C   LIG    1       -2.912  -1.784  -0.346  0.00  0.00    +0.128 C 
ATOM      9  C   LIG    1       -3.488  -3.105  -0.916  0.00  0.00    +0.184 C 
ATOM     10  O   LIG    1       -3.171  -4.256  -0.116  0.00  0.00    -0.376 OA
ATOM     11  C   LIG    1       -1.759  -4.353   0.124  0.00  0.00    +0.184 C 
ATOM     12  C   LIG    1       -3.498  -1.469   1.052  0.00  0.00    +0.184 C 
ATOM     13  O   LIG    1       -3.165  -2.453   2.047  0.00  0.00    -0.376 OA
ATOM     14  C   LIG    1       -1.753  -2.716   2.097  0.00  0.00    +0.184 C 
ATOM     15  C   LIG    1       -1.144  -3.059   0.714  0.00  0.00    +0.128 C 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        2.627   0.040   0.826  0.00  0.00    -0.289 N 
ATOM     17  C   LIG    1        3.649   1.010   0.412  0.00  0.00    +0.102 C 
ATOM     18  C   LIG    1        4.006   0.766  -1.080  0.00  0.00    +0.182 C 
ATOM     19  O   LIG    1        4.515  -0.565  -1.303  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1        3.659  -1.572  -0.723  0.00  0.00    +0.182 C 
ATOM     21  C   LIG    1        4.824   0.578   1.312  0.00  0.00    +0.027 C 
ATOM     22  C   LIG    1        4.603  -0.929   1.542  0.00  0.00    +0.027 C 
ATOM     23  C   LIG    1        3.315  -1.257   0.759  0.00  0.00    +0.102 C 
ENDBRANCH   5  16
BRANCH   1  27
ATOM     24  C   LIG    1       -1.661   5.116  -1.876  0.00  0.00    +0.213 A 
ATOM     25  N   LIG    1       -2.537   4.385  -1.191  0.00  0.00    -0.213 NA
ATOM     26  C   LIG    1       -2.133   3.170  -0.714  0.00  0.00    +0.122 A 
ATOM     27  C   LIG    1       -0.848   2.679  -0.924  0.00  0.00    +0.064 A 
ATOM     28  C   LIG    1       -0.027   3.552  -1.620  0.00  0.00    +0.128 A 
ATOM     29  N   LIG    1       -0.398   4.761  -2.093  0.00  0.00    -0.222 NA
BRANCH  24  30
ATOM     30  N   LIG    1       -2.076   6.341  -2.346  0.00  0.00    -0.327 N 
ATOM     31  H   LIG    1       -1.287   6.960  -2.459  0.00  0.00    +0.145 HD
ATOM     32  H   LIG    1       -2.862   6.675  -1.806  0.00  0.00    +0.145 HD
ENDBRANCH  24  30
BRANCH  26  33
ATOM     33  C   LIG    1       -3.161   2.390   0.081  0.00  0.00    +0.390 C 
ATOM     34  F   LIG    1       -3.768   1.401  -0.636  0.00  0.00    -0.202 F 
ATOM     35  F   LIG    1       -4.183   3.164   0.558  0.00  0.00    -0.202 F 
ENDBRANCH  26  33
ENDBRANCH   1  27
TORSDOF 5