REMARK  Name = BDB018087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.055  -0.492   0.095  0.00  0.00    +0.002 C 
ATOM      2  C   LIG    1       -2.194   0.570   1.194  0.00  0.00    +0.008 C 
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -3.147  -0.319  -0.975  0.00  0.00    +0.078 C 
BRANCH   3  11
ATOM      4  C   LIG    1       -7.183   2.655  -0.106  0.00  0.00    +0.046 C 
ATOM      5  C   LIG    1       -7.567   1.262   0.307  0.00  0.00    -0.022 A 
ATOM      6  C   LIG    1       -6.652   0.200   0.184  0.00  0.00    +0.081 A 
ATOM      7  C   LIG    1       -7.051  -1.084   0.583  0.00  0.00    +0.068 A 
ATOM      8  C   LIG    1       -6.073  -2.176   0.444  0.00  0.00    +0.259 A 
ATOM      9  N   LIG    1       -4.852  -1.819  -0.063  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -4.177  -2.566  -0.147  0.00  0.00    +0.170 HD
ATOM     11  C   LIG    1       -4.541  -0.540  -0.432  0.00  0.00    +0.111 A 
ATOM     12  O   LIG    1       -6.336  -3.330   0.759  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -8.325  -1.333   1.095  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -9.212  -0.275   1.209  0.00  0.00    +0.125 A 
ATOM     15  F   LIG    1      -10.439  -0.493   1.698  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1       -5.367   0.450  -0.334  0.00  0.00    -0.233 NA
ATOM     17  C   LIG    1       -8.849   1.012   0.823  0.00  0.00    +0.043 A 
ENDBRANCH   3  11
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.665  -0.402  -0.567  0.00  0.00    +0.099 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.458  -0.951   0.307  0.00  0.00    +0.216 C 
ATOM     20  N   LIG    1        1.759  -0.679  -0.106  0.00  0.00    -0.301 N 
ATOM     21  C   LIG    1        2.094   0.045  -1.332  0.00  0.00    +0.108 C 
ATOM     22  C   LIG    1        3.533  -0.193  -1.770  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.532   0.189  -0.664  0.00  0.00    +0.063 C 
ATOM     24  C   LIG    1        4.007  -0.136   0.744  0.00  0.00    +0.030 C 
ATOM     25  C   LIG    1        2.871  -1.152   0.717  0.00  0.00    +0.108 C 
ATOM     26  O   LIG    1        0.216  -1.621   1.311  0.00  0.00    -0.276 OA
BRANCH  23  27
ATOM     27  C   LIG    1        5.884  -0.496  -0.882  0.00  0.00    +0.169 C 
ATOM     28  O   LIG    1        5.955  -1.598  -1.425  0.00  0.00    -0.292 OA
BRANCH  27  29
ATOM     29  C   LIG    1        7.089   0.172  -0.405  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1        8.381  -0.300  -0.540  0.00  0.00    +0.119 A 
ATOM     31  N   LIG    1        9.197   0.621   0.044  0.00  0.00    -0.274 N 
ATOM     32  C   LIG    1       10.634   0.567   0.154  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        8.530   1.671   0.556  0.00  0.00    -0.179 NA
ATOM     34  C   LIG    1        7.252   1.394   0.286  0.00  0.00    +0.145 A 
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6