REMARK  Name = BDB018197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.871  -0.580  -0.431  0.00  0.00    +0.225 A 
ATOM      2  O   LIG    1        0.738  -1.266  -1.593  0.00  0.00    -0.339 OA
ATOM      3  N   LIG    1       -0.602  -1.422  -1.888  0.00  0.00    -0.076 NA
ATOM      4  C   LIG    1       -1.285  -0.823  -0.900  0.00  0.00    +0.115 A 
ATOM      5  C   LIG    1       -0.377  -0.273   0.049  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.753  -0.796  -0.888  0.00  0.00    +0.006 A 
ATOM      7  C   LIG    1       -3.460   0.058  -0.021  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -4.868   0.078  -0.008  0.00  0.00    +0.048 A 
ATOM      9  C   LIG    1       -5.567  -0.769  -0.878  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -4.875  -1.616  -1.744  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -3.481  -1.629  -1.749  0.00  0.00    +0.010 A 
BRANCH   8  12
ATOM     12  N   LIG    1       -5.576   0.947   0.875  0.00  0.00    -0.306 N 
ATOM     13  C   LIG    1       -5.043   1.837   1.785  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -5.961   2.494   2.459  0.00  0.00    -0.244 NA
ATOM     15  C   LIG    1       -7.149   2.028   1.980  0.00  0.00    +0.130 A 
ATOM     16  C   LIG    1       -6.943   1.078   1.007  0.00  0.00    +0.112 A 
ENDBRANCH   8  12
ENDBRANCH   4   6
BRANCH   1  18
ATOM     17  C   LIG    1        3.288  -0.744  -0.498  0.00  0.00    +0.258 C 
ATOM     18  N   LIG    1        2.111  -0.292   0.078  0.00  0.00    -0.252 N 
ATOM     19  H   LIG    1        2.166   0.199   0.965  0.00  0.00    +0.158 HD
ATOM     20  O   LIG    1        3.386  -1.432  -1.508  0.00  0.00    -0.272 OA
BRANCH  17  23
ATOM     21  N   LIG    1        6.520   1.048  -0.155  0.00  0.00    -0.266 N 
ATOM     22  C   LIG    1        5.053   1.030  -0.463  0.00  0.00    +0.166 C 
ATOM     23  C   LIG    1        4.507  -0.213   0.243  0.00  0.00    +0.204 C 
ATOM     24  F   LIG    1        4.197   0.118   1.538  0.00  0.00    -0.230 F 
ATOM     25  C   LIG    1        5.697  -1.153   0.253  0.00  0.00    +0.071 C 
ATOM     26  C   LIG    1        6.852  -0.213   0.560  0.00  0.00    +0.120 C 
BRANCH  21  28
ATOM     27  N   LIG    1        7.881   3.135  -0.018  0.00  0.00    -0.174 NA
ATOM     28  C   LIG    1        7.256   2.165  -0.087  0.00  0.00    +0.169 C 
ENDBRANCH  21  28
ENDBRANCH  17  23
ENDBRANCH   1  18
TORSDOF 5