REMARK  Name = BDB049539
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.476  -2.277   3.072  0.00  0.00    +0.072 C 
ATOM      2  C   LIG    1        0.547  -3.196   2.776  0.00  0.00    +0.072 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -0.100  -3.286   1.454  0.00  0.00    +0.240 C 
ATOM      4  N   LIG    1       -1.404  -2.842   1.359  0.00  0.00    -0.295 N 
ATOM      5  C   LIG    1       -2.016  -2.849   0.028  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1       -1.803  -1.496  -0.682  0.00  0.00    +0.124 C 
ATOM      7  N   LIG    1       -2.296  -0.378   0.172  0.00  0.00    -0.327 N 
ATOM      8  C   LIG    1       -1.734  -0.393   1.547  0.00  0.00    +0.124 C 
ATOM      9  C   LIG    1       -1.951  -1.774   2.212  0.00  0.00    +0.127 C 
ATOM     10  O   LIG    1        0.555  -3.747   0.520  0.00  0.00    -0.271 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.278   0.855  -0.512  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -3.131   1.032  -1.619  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1       -3.147   2.224  -2.348  0.00  0.00    +0.040 A 
ATOM     14  C   LIG    1       -2.311   3.263  -1.971  0.00  0.00    +0.124 A 
ATOM     15  F   LIG    1       -2.319   4.404  -2.671  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -1.468   3.131  -0.878  0.00  0.00    +0.040 A 
ATOM     17  C   LIG    1       -1.458   1.936  -0.151  0.00  0.00    +0.026 A 
ENDBRANCH   7  11
ENDBRANCH   2   3
BRANCH   1  20
ATOM     18  N   LIG    1        2.077  -1.439   0.884  0.00  0.00    -0.282 N 
ATOM     19  H   LIG    1        1.968  -2.413   0.605  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        1.916  -1.144   2.214  0.00  0.00    +0.241 C 
ATOM     21  O   LIG    1        2.110  -0.068   2.767  0.00  0.00    -0.270 OA
BRANCH  18  24
ATOM     22  C   LIG    1        2.474   1.696  -1.131  0.00  0.00    +0.038 A 
ATOM     23  C   LIG    1        2.323   0.859  -0.015  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1        2.281  -0.528  -0.173  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        2.398  -1.068  -1.461  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        2.549  -0.239  -2.575  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        2.582   1.145  -2.413  0.00  0.00    +0.013 A 
BRANCH  22  31
ATOM     28  N   LIG    1        3.144   3.932  -1.826  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        3.227   4.915  -1.598  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        3.844   3.538  -2.439  0.00  0.00    +0.145 HD
ATOM     31  C   LIG    1        2.464   3.166  -0.919  0.00  0.00    +0.242 C 
ATOM     32  O   LIG    1        1.894   3.679   0.035  0.00  0.00    -0.270 OA
ENDBRANCH  22  31
ENDBRANCH  18  24
ENDBRANCH   1  20
TORSDOF 5