REMARK  Name = BDB036221
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.018   0.145  -1.904  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -3.248  -0.006  -1.038  0.00  0.00    +0.004 A 
ATOM      3  C   LIG    1       -3.780   1.091  -0.358  0.00  0.00    +0.153 A 
ATOM      4  F   LIG    1       -3.190   2.293  -0.457  0.00  0.00    -0.203 F 
ATOM      5  C   LIG    1       -4.923   0.959   0.433  0.00  0.00    +0.104 A 
ATOM      6  C   LIG    1       -5.565  -0.278   0.557  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1       -6.717  -0.450   1.344  0.00  0.00    -0.236 NA
ATOM      8  C   LIG    1       -7.198   0.590   1.977  0.00  0.00    +0.209 A 
ATOM      9  C   LIG    1       -6.567   1.964   1.898  0.00  0.00    +0.279 A 
ATOM     10  O   LIG    1       -7.041   2.913   2.501  0.00  0.00    -0.266 OA
ATOM     11  C   LIG    1       -5.042  -1.377  -0.125  0.00  0.00    +0.030 A 
ATOM     12  N   LIG    1       -5.445   2.064   1.114  0.00  0.00    -0.317 N 
ATOM     13  H   LIG    1       -4.994   2.969   1.035  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1       -3.896  -1.245  -0.918  0.00  0.00    +0.010 A 
BRANCH   8  15
ATOM     15  C   LIG    1       -8.422   0.529   2.846  0.00  0.00    +0.439 C 
ATOM     16  F   LIG    1       -9.419   1.347   2.409  0.00  0.00    -0.164 F 
ATOM     17  F   LIG    1       -8.968  -0.721   2.899  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1       -8.167   0.872   4.139  0.00  0.00    -0.164 F 
ENDBRANCH   8  15
ENDBRANCH   1   2
BRANCH   1  22
ATOM     19  N   LIG    1        1.958  -0.208  -0.924  0.00  0.00    -0.326 N 
ATOM     20  C   LIG    1        1.074  -0.888   0.037  0.00  0.00    +0.120 C 
ATOM     21  C   LIG    1       -0.396  -0.459  -0.183  0.00  0.00    +0.103 C 
ATOM     22  N   LIG    1       -0.931  -0.775  -1.530  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        0.148  -0.775  -2.542  0.00  0.00    +0.103 C 
ATOM     24  C   LIG    1        1.367   0.126  -2.231  0.00  0.00    +0.120 C 
BRANCH  19  28
ATOM     25  C   LIG    1        6.008   0.346  -0.106  0.00  0.00    +0.125 A 
ATOM     26  N   LIG    1        5.316  -0.541   0.655  0.00  0.00    -0.249 NA
ATOM     27  C   LIG    1        4.000  -0.689   0.347  0.00  0.00    +0.134 A 
ATOM     28  C   LIG    1        3.304  -0.016  -0.668  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        4.081   0.887  -1.407  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        5.438   1.076  -1.135  0.00  0.00    +0.035 A 
BRANCH  25  34
ATOM     31  C   LIG    1        9.231  -0.178   1.796  0.00  0.00    +0.128 C 
ATOM     32  N   LIG    1        7.908  -0.289   1.247  0.00  0.00    -0.313 N 
ATOM     33  H   LIG    1        7.195  -0.838   1.721  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1        7.459   0.521   0.225  0.00  0.00    +0.262 C 
ATOM     35  O   LIG    1        8.161   1.330  -0.372  0.00  0.00    -0.269 OA
ENDBRANCH  25  34
ENDBRANCH  19  28
ENDBRANCH   1  22
TORSDOF 5