REMARK  Name = BDB065019
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.157   3.578  -1.352  0.00  0.00    +0.042 A 
ATOM      2  N   LIG    1       -0.242   2.366  -1.812  0.00  0.00    -0.252 NA
ATOM      3  C   LIG    1       -1.002   1.591  -1.021  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1       -1.418   1.998   0.263  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.219   1.153   1.057  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -2.605  -0.100   0.586  0.00  0.00    +0.122 A 
ATOM      7  C   LIG    1       -2.185  -0.503  -0.679  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -1.004   3.257   0.713  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -1.395   0.340  -1.467  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1       -0.204   4.055  -0.098  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   1  11
ATOM     11  C   LIG    1        1.056   4.388  -2.252  0.00  0.00    +0.059 C 
BRANCH  11  12
ATOM     12  C   LIG    1        2.539   4.274  -1.877  0.00  0.00    +0.033 C 
BRANCH  12  14
ATOM     13  C   LIG    1        3.424   1.953  -1.229  0.00  0.00    -0.076 C 
ATOM     14  C   LIG    1        3.098   2.899  -2.132  0.00  0.00    -0.027 C 
ATOM     15  C   LIG    1        3.310   2.103   0.264  0.00  0.00    +0.039 C 
BRANCH  13  16
ATOM     16  C   LIG    1        3.922   0.600  -1.702  0.00  0.00    +0.041 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.837  -0.470  -1.620  0.00  0.00    +0.125 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.295  -1.749  -2.268  0.00  0.00    +0.307 C 
ATOM     19  O   LIG    1        2.768  -2.244  -3.255  0.00  0.00    -0.251 OA
BRANCH  18  20
ATOM     20  O   LIG    1        4.350  -2.279  -1.589  0.00  0.00    -0.465 OA
BRANCH  20  22
ATOM     21  C   LIG    1        4.109  -4.684  -1.490  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1        4.863  -3.518  -2.101  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH  12  14
ENDBRANCH  11  12
ENDBRANCH   1  11
BRANCH   6  23
ATOM     23  O   LIG    1       -3.374  -1.013   1.251  0.00  0.00    -0.487 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -3.885  -0.632   2.528  0.00  0.00    +0.264 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.731  -1.757   3.078  0.00  0.00    -0.010 A 
ATOM     26  C   LIG    1       -6.030  -1.514   3.545  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -6.800  -2.551   4.077  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.277  -3.841   4.152  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.985  -4.095   3.696  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.214  -3.059   3.165  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   6  23
TORSDOF 11