REMARK  Name = BDB007081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.386  -0.106   1.067  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.844  -1.408   0.808  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.022  -1.591   0.056  0.00  0.00    +0.001 A 
ATOM      4  C   LIG    1       -2.733  -2.742  -0.379  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -3.827  -2.313  -1.095  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1       -3.824  -0.940  -1.092  0.00  0.00    -0.342 N 
ATOM      7  C   LIG    1       -2.719  -0.470  -0.406  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -2.279   0.837  -0.144  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -1.107   0.998   0.603  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1        1.820  -0.838   1.790  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        1.762  -1.538   1.063  0.00  0.00    +0.149 HD
ATOM     12  C   LIG    1        0.854   0.142   1.854  0.00  0.00    +0.244 C 
ATOM     13  O   LIG    1        0.985   1.186   2.484  0.00  0.00    -0.270 OA
BRANCH  10  14
ATOM     14  C   LIG    1        3.131  -0.646   2.370  0.00  0.00    +0.143 C 
BRANCH  14  18
ATOM     15  C   LIG    1        5.858   0.963  -0.570  0.00  0.00    +0.124 A 
ATOM     16  C   LIG    1        5.673  -0.422  -0.473  0.00  0.00    +0.091 A 
ATOM     17  C   LIG    1        4.797  -0.970   0.472  0.00  0.00    +0.128 A 
ATOM     18  C   LIG    1        4.102  -0.115   1.344  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1        4.280   1.274   1.229  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1        5.155   1.810   0.282  0.00  0.00    +0.046 A 
BRANCH  15  22
ATOM     21  C   LIG    1        6.966   2.750  -1.679  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1        6.743   1.352  -1.539  0.00  0.00    -0.495 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1        4.541  -2.309   0.614  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        5.277  -3.204  -0.211  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  14  18
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   6  25
ATOM     25  C   LIG    1       -4.827  -0.115  -1.759  0.00  0.00    +0.159 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.824   0.463  -0.788  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.941   1.851  -0.645  0.00  0.00    +0.131 A 
ATOM     28  F   LIG    1       -5.160   2.663  -1.372  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1       -6.853   2.419   0.236  0.00  0.00    +0.077 A 
ATOM     30  C   LIG    1       -7.668   1.585   0.987  0.00  0.00    +0.126 A 
ATOM     31  F   LIG    1       -8.554   2.119   1.838  0.00  0.00    -0.205 F 
ATOM     32  C   LIG    1       -7.584   0.202   0.866  0.00  0.00    +0.039 A 
ATOM     33  C   LIG    1       -6.665  -0.361  -0.022  0.00  0.00    +0.011 A 
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 7