REMARK  Name = BDB018532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.223  -1.991  -0.159  0.00  0.00    -0.001 A 
ATOM      2  C   LIG    1       -0.250  -2.033  -0.172  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -0.848  -3.193   0.168  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -0.140  -4.334   0.504  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -0.886  -5.537   0.842  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1        1.246  -4.371   0.506  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1        1.931  -5.354   0.771  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.923  -3.096   0.161  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        3.488   1.465  -0.923  0.00  0.00    +0.215 A 
ATOM     10  N   LIG    1        2.773   1.413   0.209  0.00  0.00    -0.222 NA
ATOM     11  C   LIG    1        2.053   0.293   0.432  0.00  0.00    +0.124 A 
ATOM     12  C   LIG    1        2.024  -0.786  -0.425  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1        2.803  -0.632  -1.553  0.00  0.00    +0.124 A 
ATOM     14  N   LIG    1        3.536   0.470  -1.819  0.00  0.00    -0.222 NA
BRANCH   9  15
ATOM     15  N   LIG    1        4.242   2.581  -1.233  0.00  0.00    -0.314 N 
ATOM     16  H   LIG    1        4.891   2.309  -1.962  0.00  0.00    +0.149 HD
BRANCH  15  18
ATOM     17  C   LIG    1        5.973   2.602   0.516  0.00  0.00    +0.024 C 
ATOM     18  C   LIG    1        4.802   3.332  -0.125  0.00  0.00    +0.101 C 
ENDBRANCH  15  18
ENDBRANCH   9  15
ENDBRANCH   1  12
BRANCH   2  19
ATOM     19  C   LIG    1       -1.041  -0.891  -0.531  0.00  0.00    +0.022 A 
ATOM     20  C   LIG    1       -2.107  -0.389   0.183  0.00  0.00    +0.123 A 
ATOM     21  N   LIG    1       -2.606   0.689  -0.517  0.00  0.00    -0.238 N 
ATOM     22  N   LIG    1       -1.850   0.930  -1.622  0.00  0.00    -0.174 NA
ATOM     23  C   LIG    1       -0.933  -0.036  -1.638  0.00  0.00    +0.143 A 
BRANCH  21  24
ATOM     24  C   LIG    1       -3.720   1.538  -0.227  0.00  0.00    +0.085 A 
ATOM     25  C   LIG    1       -4.748   1.215   0.678  0.00  0.00    +0.112 A 
ATOM     26  C   LIG    1       -5.770   2.149   0.902  0.00  0.00    +0.143 A 
ATOM     27  F   LIG    1       -6.763   1.866   1.759  0.00  0.00    -0.204 F 
ATOM     28  C   LIG    1       -5.806   3.376   0.247  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1       -4.811   3.688  -0.668  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -3.780   2.777  -0.907  0.00  0.00    +0.029 A 
BRANCH  25  31
ATOM     31  C   LIG    1       -4.888  -0.045   1.340  0.00  0.00    +0.104 C 
ATOM     32  N   LIG    1       -4.986  -1.076   1.864  0.00  0.00    -0.191 NA
ENDBRANCH  25  31
ENDBRANCH  21  24
ENDBRANCH   2  19
TORSDOF 6