REMARK  Name = BDB012622
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.907   1.552  -0.309  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        1.212   2.857   0.021  0.00  0.00    -0.333 N 
ATOM      3  C   LIG    1        2.429   3.565  -0.296  0.00  0.00    +0.150 C 
ATOM      4  C   LIG    1        0.169   3.377   0.730  0.00  0.00    +0.200 A 
ATOM      5  N   LIG    1       -0.789   2.498   0.890  0.00  0.00    -0.234 NA
ATOM      6  C   LIG    1       -0.351   1.346   0.252  0.00  0.00    +0.115 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        3.381  -1.167  -1.121  0.00  0.00    +0.156 A 
ATOM      8  C   LIG    1        3.531  -0.961  -2.496  0.00  0.00    +0.165 A 
ATOM      9  F   LIG    1        4.362  -1.738  -3.208  0.00  0.00    -0.202 F 
ATOM     10  C   LIG    1        2.825   0.038  -3.161  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        1.956   0.859  -2.446  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        1.802   0.681  -1.065  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1        2.517  -0.333  -0.408  0.00  0.00    +0.058 A 
BRANCH   7  15
ATOM     14  C   LIG    1        3.827  -2.559   0.755  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1        4.125  -2.185  -0.584  0.00  0.00    -0.492 OA
ENDBRANCH   7  15
ENDBRANCH   1  12
BRANCH   6  16
ATOM     16  C   LIG    1       -1.160   0.126   0.210  0.00  0.00    +0.092 A 
ATOM     17  N   LIG    1       -0.645  -0.959  -0.417  0.00  0.00    -0.253 NA
ATOM     18  C   LIG    1       -1.399  -2.075  -0.452  0.00  0.00    +0.112 A 
ATOM     19  C   LIG    1       -2.656  -2.172   0.116  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1       -3.185  -1.055   0.763  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.418   0.112   0.807  0.00  0.00    +0.040 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -4.503  -1.134   1.367  0.00  0.00    +0.112 A 
ATOM     23  N   LIG    1       -5.275  -2.270   1.366  0.00  0.00    -0.130 NA
ATOM     24  N   LIG    1       -6.412  -2.004   1.996  0.00  0.00    -0.068 NA
ATOM     25  N   LIG    1       -6.361  -0.723   2.387  0.00  0.00    -0.264 N 
ATOM     26  H   LIG    1       -7.151  -0.336   2.889  0.00  0.00    +0.190 HD
ATOM     27  C   LIG    1       -5.189  -0.134   2.020  0.00  0.00    +0.135 A 
ENDBRANCH  20  22
ENDBRANCH   6  16
TORSDOF 4