REMARK  Name = BDB014619
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.595  -1.184  -1.148  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1        2.034  -2.063  -0.412  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        1.246  -2.778   0.465  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        1.708  -3.317   1.189  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.149  -2.412   0.698  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.063  -2.822  -0.469  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.937  -4.239  -0.679  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        0.018  -4.398  -0.793  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.546  -2.505  -0.183  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.834  -1.099   0.152  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.225  -0.980   0.639  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.668   0.448   0.879  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -4.005   1.522   0.261  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -4.452   2.833   0.473  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -5.568   3.075   1.274  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.240   2.011   1.872  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -2.777   1.266  -0.574  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.795   0.704   1.674  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -2.646  -0.203  -1.002  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        3.489  -2.489  -0.388  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.362  -1.643  -1.310  0.00  0.00    +0.083 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.591  -0.273  -0.766  0.00  0.00    +0.109 A 
ATOM     23  N   LIG    1        3.651   0.725  -0.877  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        2.730   0.608  -1.286  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        4.146   1.851  -0.275  0.00  0.00    +0.066 A 
ATOM     26  C   LIG    1        5.405   1.470   0.180  0.00  0.00    +0.092 A 
ATOM     27  C   LIG    1        6.204   2.400   0.855  0.00  0.00    +0.068 A 
ATOM     28  C   LIG    1        5.690   3.682   1.044  0.00  0.00    +0.126 A 
ATOM     29  C   LIG    1        4.426   4.047   0.586  0.00  0.00    +0.040 A 
ATOM     30  F   LIG    1        6.434   4.593   1.689  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1        3.615   3.130  -0.091  0.00  0.00    +0.030 A 
ATOM     32  N   LIG    1        5.660   0.154  -0.128  0.00  0.00    -0.232 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8