REMARK  Name = BDB021971
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.280  -2.313   0.328  0.00  0.00    +0.168 C 
ATOM      2  N   LIG    1       -1.647  -0.966  -0.199  0.00  0.00    -0.284 NA
ATOM      3  C   LIG    1       -0.355  -0.243  -0.168  0.00  0.00    +0.108 C 
ATOM      4  C   LIG    1        0.428  -0.773   1.050  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -0.305  -2.045   1.470  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   4   6
ATOM      6  N   LIG    1        1.831  -1.032   0.754  0.00  0.00    -0.295 N 
ATOM      7  H   LIG    1        2.027  -1.829   0.165  0.00  0.00    +0.151 HD
ATOM      8  C   LIG    1        2.689   0.035   0.551  0.00  0.00    +0.304 C 
ATOM      9  N   LIG    1        3.954  -0.418   0.249  0.00  0.00    -0.269 N 
ATOM     10  H   LIG    1        4.126  -1.386   0.470  0.00  0.00    +0.156 HD
ATOM     11  O   LIG    1        2.321   1.197   0.646  0.00  0.00    -0.253 OA
BRANCH   9  12
ATOM     12  C   LIG    1        5.076   0.351  -0.118  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        5.021   1.716  -0.407  0.00  0.00    +0.023 A 
ATOM     14  C   LIG    1        6.178   2.409  -0.776  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        7.398   1.742  -0.864  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.462   0.380  -0.585  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        6.306  -0.312  -0.216  0.00  0.00    +0.023 A 
ENDBRANCH   9  12
ENDBRANCH   4   6
BRANCH   1  18
ATOM     18  C   LIG    1       -2.467  -3.191   0.718  0.00  0.00    +0.324 C 
ATOM     19  O   LIG    1       -2.679  -3.617   1.846  0.00  0.00    -0.249 OA
BRANCH  18  21
ATOM     20  C   LIG    1       -4.396  -4.250  -0.088  0.00  0.00    +0.280 C 
ATOM     21  O   LIG    1       -3.249  -3.448  -0.370  0.00  0.00    -0.467 OA
ENDBRANCH  18  21
ENDBRANCH   1  18
BRANCH   2  22
ATOM     22  C   LIG    1       -2.670  -0.279   0.618  0.00  0.00    +0.121 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.151   1.018  -0.021  0.00  0.00    -0.022 A 
ATOM     24  C   LIG    1       -3.132   2.258   0.660  0.00  0.00    +0.059 A 
ATOM     25  C   LIG    1       -3.607   3.408  -0.002  0.00  0.00    +0.013 A 
ATOM     26  C   LIG    1       -4.098   3.338  -1.305  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -4.125   2.118  -1.970  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -3.659   0.969  -1.334  0.00  0.00    +0.005 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -2.624   2.384   2.078  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1       -3.353   1.637   2.955  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1       -2.656   3.656   2.566  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -1.335   1.967   2.217  0.00  0.00    -0.166 F 
ENDBRANCH  24  29
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 7