REMARK  Name = BDB019180
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.257  -1.390  -0.031  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.434  -1.387   1.258  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.932  -1.824   0.749  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.020  -1.216  -0.648  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.349  -1.148  -1.136  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.671   0.189  -0.695  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -3.186   0.235  -0.549  0.00  0.00    -0.013 A 
ATOM      8  C   LIG    1       -3.754   1.518  -0.410  0.00  0.00    -0.038 A 
ATOM      9  C   LIG    1       -5.140   1.688  -0.339  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -5.968   0.571  -0.385  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1       -5.424  -0.706  -0.510  0.00  0.00    +0.020 A 
ATOM     12 CL   LIG    1       -7.674   0.767  -0.289  0.00  0.00    -0.084 Cl
ATOM     13  C   LIG    1       -2.800   2.679  -0.358  0.00  0.00    +0.063 C 
ATOM     14  C   LIG    1       -1.629   2.297   0.546  0.00  0.00    +0.165 C 
ATOM     15  C   LIG    1       -4.038  -0.875  -0.597  0.00  0.00    +0.008 A 
ATOM     16  O   LIG    1       -1.034   1.019   0.292  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  21
ATOM     17  C   LIG    1        5.710   0.455   0.561  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1        4.361   0.509   0.198  0.00  0.00    +0.094 A 
ATOM     19  C   LIG    1        3.468   1.470  -0.311  0.00  0.00    +0.153 A 
ATOM     20  C   LIG    1        2.229   0.906  -0.473  0.00  0.00    +0.129 A 
ATOM     21  N   LIG    1        2.326  -0.402  -0.058  0.00  0.00    -0.300 N 
ATOM     22  F   LIG    1        3.774   2.738  -0.609  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        3.622  -0.659   0.335  0.00  0.00    +0.151 A 
ATOM     24  N   LIG    1        4.086  -1.842   0.773  0.00  0.00    -0.217 NA
ATOM     25  C   LIG    1        5.389  -1.774   1.095  0.00  0.00    +0.225 A 
ATOM     26  N   LIG    1        6.216  -0.713   1.006  0.00  0.00    -0.220 NA
BRANCH  17  27
ATOM     27  N   LIG    1        6.575   1.534   0.480  0.00  0.00    -0.342 N 
ATOM     28  H   LIG    1        7.544   1.240   0.491  0.00  0.00    +0.144 HD
ATOM     29  H   LIG    1        6.314   2.253  -0.182  0.00  0.00    +0.144 HD
ENDBRANCH  17  27
ENDBRANCH   1  21
BRANCH   2  30
ATOM     30  O   LIG    1        0.918  -2.290   2.254  0.00  0.00    -0.385 OA
ATOM     31  H   LIG    1        0.402  -3.116   2.156  0.00  0.00    +0.210 HD
ENDBRANCH   2  30
BRANCH   3  32
ATOM     32  O   LIG    1       -0.950  -3.268   0.672  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -0.467  -3.546  -0.129  0.00  0.00    +0.210 HD
ENDBRANCH   3  32
TORSDOF 5