REMARK  Name = BDB040902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.700   1.139   1.581  0.00  0.00    +0.102 C 
ATOM      2  C   LIG    1       -0.561   1.971   1.167  0.00  0.00    +0.076 C 
ATOM      3  C   LIG    1       -1.707   1.075   0.781  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1       -2.928   1.275   0.096  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -3.605   0.131  -0.049  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1       -2.934  -0.793   0.698  0.00  0.00    -0.218 N 
ATOM      7  C   LIG    1       -3.497   2.524  -0.471  0.00  0.00    +0.068 C 
ATOM      8  C   LIG    1       -1.739  -0.252   1.170  0.00  0.00    +0.126 A 
ATOM      9  N   LIG    1       -0.736  -0.868   1.850  0.00  0.00    -0.327 N 
ATOM     10  H   LIG    1       -0.689  -1.864   2.040  0.00  0.00    +0.148 HD
ATOM     11  C   LIG    1        0.260  -0.018   2.519  0.00  0.00    +0.126 C 
ENDROOT
BRANCH   2  12
ATOM     12  C   LIG    1       -0.294   2.982   0.060  0.00  0.00    -0.038 A 
ATOM     13  C   LIG    1       -0.164   2.624  -1.296  0.00  0.00    +0.007 A 
ATOM     14  C   LIG    1        0.109   3.587  -2.269  0.00  0.00    +0.038 A 
ATOM     15  C   LIG    1        0.264   4.915  -1.895  0.00  0.00    +0.123 A 
ATOM     16  F   LIG    1        0.525   5.838  -2.829  0.00  0.00    -0.205 F 
ATOM     17  C   LIG    1        0.152   5.298  -0.566  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -0.122   4.336   0.409  0.00  0.00    +0.007 A 
ENDBRANCH   2  12
BRANCH   6  19
ATOM     19  C   LIG    1       -3.518  -2.076   0.910  0.00  0.00    +0.067 A 
ATOM     20  C   LIG    1       -3.141  -2.897   1.980  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1       -3.739  -4.149   2.152  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.724  -4.585   1.269  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -5.128  -3.765   0.219  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -4.535  -2.512   0.044  0.00  0.00    +0.028 A 
ENDBRANCH   6  19
BRANCH   1  26
ATOM     25  C   LIG    1        2.764   0.208   0.577  0.00  0.00    +0.244 C 
ATOM     26  N   LIG    1        1.442   0.576   0.440  0.00  0.00    -0.306 N 
ATOM     27  H   LIG    1        0.879   0.035  -0.205  0.00  0.00    +0.149 HD
ATOM     28  O   LIG    1        3.417   0.429   1.591  0.00  0.00    -0.270 OA
BRANCH  25  32
ATOM     29  C   LIG    1        6.224  -2.994  -1.088  0.00  0.00    +0.044 C 
ATOM     30  C   LIG    1        5.042  -2.111  -1.357  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1        4.450  -1.382  -0.316  0.00  0.00    +0.016 A 
ATOM     32  C   LIG    1        3.363  -0.535  -0.567  0.00  0.00    +0.037 A 
ATOM     33  C   LIG    1        2.886  -0.388  -1.875  0.00  0.00    +0.013 A 
ATOM     34  C   LIG    1        3.481  -1.099  -2.917  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        4.553  -1.955  -2.660  0.00  0.00    +0.003 A 
ENDBRANCH  25  32
ENDBRANCH   1  26
TORSDOF 4