REMARK  Name = BDB007087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.133   0.114  -0.460  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.040   0.122   0.940  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1        1.157  -0.298   1.557  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1        1.567  -0.417   2.913  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        2.857  -0.892   2.920  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        3.261  -1.044   1.616  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1        2.231  -0.702   0.759  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        2.155  -0.701  -0.643  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1        0.960  -0.282  -1.236  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1       -2.557   0.341  -0.488  0.00  0.00    -0.305 N 
ATOM     11  H   LIG    1       -2.558  -0.217   0.354  0.00  0.00    +0.150 HD
ATOM     12  C   LIG    1       -1.373   0.547  -1.162  0.00  0.00    +0.245 C 
ATOM     13  O   LIG    1       -1.307   1.031  -2.286  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1       -3.850   0.662  -1.073  0.00  0.00    +0.103 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -4.810  -0.483  -0.779  0.00  0.00    -0.027 A 
ATOM     16  C   LIG    1       -5.479  -0.608   0.449  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -6.329  -1.690   0.691  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -6.513  -2.667  -0.285  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.843  -2.567  -1.502  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1       -4.994  -1.486  -1.745  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
BRANCH  14  22
ATOM     21  C   LIG    1       -3.568   3.205  -1.114  0.00  0.00    +0.006 C 
ATOM     22  C   LIG    1       -4.368   2.027  -0.573  0.00  0.00    +0.024 C 
ENDBRANCH  14  22
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  C   LIG    1        4.576  -1.538   1.215  0.00  0.00    +0.159 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.485  -0.426   0.761  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        5.974  -0.410  -0.550  0.00  0.00    +0.131 A 
ATOM     26  F   LIG    1        5.627  -1.386  -1.402  0.00  0.00    -0.205 F 
ATOM     27  C   LIG    1        6.820   0.596  -1.001  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1        7.188   1.605  -0.124  0.00  0.00    +0.126 A 
ATOM     29  F   LIG    1        8.004   2.580  -0.545  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        6.727   1.618   1.188  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1        5.878   0.603   1.634  0.00  0.00    +0.011 A 
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 6