REMARK  Name = BDB016121
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.917   2.188   0.096  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.162   1.074   0.051  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.179   1.207  -0.009  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.788   2.464   0.001  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.921   3.540   0.048  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.422   3.437   0.089  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.375   0.570   0.165  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.983   0.746   0.107  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.384   2.023   0.154  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.245   3.131   0.264  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.632   2.974   0.326  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.193   1.699   0.278  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.199  -4.214  -0.885  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.312  -2.873  -0.366  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.373  -2.545   0.392  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.162  -1.258   0.682  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.966  -0.757   0.116  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.442  -1.839  -0.561  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.225   2.669  -0.009  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.882   3.654  -0.718  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.213   3.491  -0.455  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.305   4.276  -0.975  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.471   2.472   0.383  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.262   1.972   0.653  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.970   0.041  -0.044  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -2.632   0.127  -0.825  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.264  -1.248  -0.176  0.00  0.00    +0.103 C 
ATOM     28  C   LIG    1       -2.256  -2.288  -0.761  0.00  0.00    +0.168 C 
ATOM     29  C   LIG    1       -3.124  -2.900   0.335  0.00  0.00    +0.196 C 
ATOM     30  F   LIG    1       -3.963  -3.808  -0.250  0.00  0.00    -0.243 F 
ATOM     31  C   LIG    1       -2.303  -3.623   1.399  0.00  0.00    +0.040 C 
ATOM     32  C   LIG    1       -0.843  -3.177   1.445  0.00  0.00    +0.005 C 
ATOM     33  C   LIG    1       -0.699  -1.682   1.191  0.00  0.00    +0.025 C 
BRANCH  28  34
ATOM     34  O   LIG    1       -3.079  -1.663  -1.766  0.00  0.00    -0.387 OA
ATOM     35  H   LIG    1       -3.792  -2.303  -1.963  0.00  0.00    +0.210 HD
ENDBRANCH  28  34
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6