REMARK  Name = BDB016774
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.482  -1.175  -0.256  0.00  0.00    -0.008 A 
ATOM      2  C   LIG    1        1.546  -0.650  -0.959  0.00  0.00    +0.119 A 
ATOM      3  N   LIG    1        2.690  -0.910  -0.233  0.00  0.00    -0.222 N 
ATOM      4  N   LIG    1        2.405  -1.572   0.920  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1        1.081  -1.734   0.891  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.021  -0.541  -0.595  0.00  0.00    +0.155 A 
ATOM      7  N   LIG    1        4.207   0.145  -1.756  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1        5.469   0.482  -2.091  0.00  0.00    +0.114 A 
ATOM      9  C   LIG    1        6.573   0.185  -1.315  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        6.367  -0.510  -0.121  0.00  0.00    +0.043 A 
ATOM     11  C   LIG    1        5.073  -0.888   0.245  0.00  0.00    +0.061 A 
BRANCH  10  12
ATOM     12  C   LIG    1        7.488  -0.869   0.790  0.00  0.00    +0.257 C 
ATOM     13  N   LIG    1        8.632  -0.040   0.690  0.00  0.00    -0.219 N 
ATOM     14  H   LIG    1        8.561   0.891   0.287  0.00  0.00    +0.167 HD
ATOM     15  O   LIG    1        7.390  -1.819   1.551  0.00  0.00    -0.269 OA
BRANCH  13  16
ATOM     16  C   LIG    1        9.575  -0.328   1.588  0.00  0.00    +0.173 C 
ATOM     17  N   LIG    1       10.436  -0.503   2.341  0.00  0.00    -0.174 NA
ENDBRANCH  13  16
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1       -0.964  -1.160  -0.621  0.00  0.00    +0.053 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.687   0.084  -0.072  0.00  0.00    +0.089 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -3.494   0.180  -1.698  0.00  0.00    +0.105 C 
ATOM     21  N   LIG    1       -3.151   0.060  -0.276  0.00  0.00    -0.301 NA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.774   1.152   0.502  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -5.283   1.040   0.599  0.00  0.00    -0.033 A 
ATOM     24  C   LIG    1       -5.878  -0.124   1.114  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1       -7.266  -0.223   1.218  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -8.060   0.842   0.812  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1       -9.392   0.748   0.911  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1       -7.492   2.005   0.305  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1       -6.104   2.107   0.200  0.00  0.00    +0.008 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8