REMARK  Name = BDB049078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.649  -0.838  -0.946  0.00  0.00    +0.051 C 
ATOM      2  C   LIG    1       -2.288  -1.113  -2.337  0.00  0.00    +0.079 C 
ATOM      3  C   LIG    1       -3.542  -0.194  -2.360  0.00  0.00    +0.104 C 
ATOM      4  N   LIG    1       -3.619   0.424  -1.028  0.00  0.00    -0.296 NA
ATOM      5  C   LIG    1       -2.230   0.532  -0.570  0.00  0.00    +0.094 C 
ENDROOT
BRANCH   1  11
ATOM      6  C   LIG    1        2.550  -2.884   0.933  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        1.918  -1.874   0.014  0.00  0.00    -0.038 A 
ATOM      8  C   LIG    1        2.684  -1.036  -0.812  0.00  0.00    +0.040 A 
ATOM      9  C   LIG    1        2.050  -0.119  -1.664  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        0.656  -0.040  -1.705  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -0.131  -0.874  -0.901  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        0.515  -1.782  -0.043  0.00  0.00    +0.008 A 
BRANCH   8  13
ATOM     13  C   LIG    1        4.171  -1.119  -0.843  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1        4.826   0.096  -0.820  0.00  0.00    -0.310 N 
ATOM     15  H   LIG    1        4.308   0.895  -0.472  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        4.741  -2.203  -0.879  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        6.266   0.159  -0.653  0.00  0.00    +0.120 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.673   0.144   0.832  0.00  0.00    +0.102 C 
BRANCH  18  19
ATOM     19  N   LIG    1        6.051   1.220   1.641  0.00  0.00    -0.307 NA
ATOM     20  C   LIG    1        6.565   2.542   1.274  0.00  0.00    +0.104 C 
ATOM     21  C   LIG    1        6.310   0.972   3.064  0.00  0.00    +0.104 C 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   8  13
ENDBRANCH   1  11
BRANCH   2  22
ATOM     22  N   LIG    1       -2.574  -2.510  -2.739  0.00  0.00    -0.304 NA
ATOM     23  C   LIG    1       -3.398  -3.248  -1.782  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1       -1.352  -3.258  -3.036  0.00  0.00    +0.104 C 
ENDBRANCH   2  22
BRANCH   4  25
ATOM     25  C   LIG    1       -4.329   1.706  -1.049  0.00  0.00    +0.122 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.653   2.221   0.337  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -3.973   3.348   0.819  0.00  0.00    +0.128 A 
ATOM     28  F   LIG    1       -3.049   3.952   0.053  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -4.216   3.866   2.087  0.00  0.00    +0.039 A 
ATOM     30  C   LIG    1       -5.157   3.257   2.909  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -5.848   2.132   2.454  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.614   1.604   1.171  0.00  0.00    -0.043 A 
ATOM     33  C   LIG    1       -6.375   0.381   0.734  0.00  0.00    +0.044 C 
ENDBRANCH  25  26
ENDBRANCH   4  25
TORSDOF 8