REMARK  Name = BDB021810
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.270   1.538  -1.569  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        1.759   0.838  -0.702  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        0.492   1.113  -0.147  0.00  0.00    -0.278 N 
ATOM      4  N   LIG    1        2.355  -0.268  -0.127  0.00  0.00    -0.269 N 
ATOM      5  H   LIG    1        1.984  -0.500   0.783  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1        3.557  -0.892  -0.511  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        4.087  -1.854   0.361  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        5.280  -2.535   0.058  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1        5.927  -2.255  -1.151  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1        5.392  -1.308  -2.016  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1        6.019  -1.054  -3.172  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1        4.218  -0.628  -1.710  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1        5.828  -3.579   0.997  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1        5.524  -3.332   2.301  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        5.340  -4.820   0.727  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        7.184  -3.687   0.945  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   4   6
BRANCH   3  17
ATOM     17  C   LIG    1       -0.485   0.003  -0.022  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -1.288  -0.216  -1.311  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -2.177  -1.462  -1.194  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -2.625  -1.729   0.178  0.00  0.00    -0.297 NA
ATOM     21  C   LIG    1       -2.781  -0.521   0.975  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -1.416   0.143   1.196  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -3.748  -2.669   0.251  0.00  0.00    +0.137 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.064  -2.116  -0.195  0.00  0.00    +0.030 A 
ATOM     25  N   LIG    1       -5.934  -1.514   0.685  0.00  0.00    -0.363 N 
ATOM     26  H   LIG    1       -5.763  -1.382   1.673  0.00  0.00    +0.165 HD
ATOM     27  C   LIG    1       -7.063  -1.114   0.020  0.00  0.00    +0.083 A 
ATOM     28  C   LIG    1       -6.932  -1.480  -1.299  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -5.678  -2.120  -1.434  0.00  0.00    +0.024 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   3  30
ATOM     30  C   LIG    1       -0.037   2.449  -0.447  0.00  0.00    +0.144 C 
BRANCH  30  31
ATOM     31  C   LIG    1        0.626   3.527   0.384  0.00  0.00    -0.030 A 
ATOM     32  C   LIG    1        0.264   3.727   1.724  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        0.882   4.720   2.487  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        1.873   5.521   1.922  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1        2.248   5.327   0.595  0.00  0.00    +0.000 A 
ATOM     36  C   LIG    1        1.630   4.336  -0.169  0.00  0.00    +0.005 A 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 7