REMARK  Name = BDB006228
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.972   1.053  -0.283  0.00  0.00    -0.230 N 
ATOM      2  C   LIG    1        1.116   0.019  -0.714  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -0.148   0.524  -0.491  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.589   0.204  -0.617  0.00  0.00    +0.146 C 
ATOM      5  N   LIG    1       -2.208   1.542  -0.409  0.00  0.00    -0.252 N 
ATOM      6  C   LIG    1       -1.258   2.532  -0.040  0.00  0.00    +0.272 C 
ATOM      7  O   LIG    1       -1.433   3.675   0.348  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        0.018   1.859  -0.158  0.00  0.00    +0.154 A 
ATOM      9  N   LIG    1        1.290   2.234  -0.120  0.00  0.00    -0.161 NA
ENDROOT
BRANCH   5  10
ATOM     10  C   LIG    1       -3.587   1.796  -0.690  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -4.060   3.071  -1.054  0.00  0.00    +0.163 A 
ATOM     12  F   LIG    1       -3.204   4.076  -1.285  0.00  0.00    -0.202 F 
ATOM     13  C   LIG    1       -5.418   3.298  -1.304  0.00  0.00    +0.078 A 
ATOM     14 CL   LIG    1       -5.977   4.863  -1.763  0.00  0.00    -0.081 Cl
ATOM     15  C   LIG    1       -6.335   2.256  -1.214  0.00  0.00    +0.023 A 
ATOM     16  C   LIG    1       -5.887   0.980  -0.893  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -4.528   0.752  -0.644  0.00  0.00    +0.026 A 
ENDBRANCH   5  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.854  -0.823   0.470  0.00  0.00    -0.022 A 
ATOM     19  C   LIG    1       -1.984  -0.475   1.828  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -2.220  -1.453   2.798  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -2.328  -2.789   2.424  0.00  0.00    +0.041 A 
ATOM     22 CL   LIG    1       -2.616  -3.993   3.618  0.00  0.00    -0.084 Cl
ATOM     23  C   LIG    1       -2.203  -3.158   1.087  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -1.967  -2.181   0.116  0.00  0.00    +0.007 A 
ENDBRANCH   4  18
BRANCH   1  26
ATOM     25  C   LIG    1        4.029   0.117   0.699  0.00  0.00    +0.148 A 
ATOM     26  C   LIG    1        3.366   1.063  -0.086  0.00  0.00    +0.125 A 
ATOM     27  C   LIG    1        4.099   2.109  -0.633  0.00  0.00    +0.142 A 
ATOM     28  N   LIG    1        5.446   2.205  -0.542  0.00  0.00    -0.261 NA
ATOM     29  C   LIG    1        6.073   1.242   0.161  0.00  0.00    +0.114 A 
ATOM     30  C   LIG    1        5.418   0.197   0.797  0.00  0.00    +0.067 A 
BRANCH  25  32
ATOM     31  C   LIG    1        3.892  -1.521   2.428  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        3.262  -0.778   1.390  0.00  0.00    -0.493 OA
ENDBRANCH  25  32
ENDBRANCH   1  26
BRANCH   2  33
ATOM     33  C   LIG    1        1.480  -1.264  -1.418  0.00  0.00    +0.032 C 
ATOM     34  C   LIG    1        1.723  -2.453  -0.496  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1        2.594  -1.110  -2.452  0.00  0.00    +0.014 C 
ENDBRANCH   2  33
TORSDOF 5