REMARK  Name = BDB063145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.573   1.041  -0.323  0.00  0.00    +0.159 C 
ATOM      2  C   LIG    1       -1.080   1.063  -0.175  0.00  0.00    +0.166 C 
ATOM      3  C   LIG    1       -0.377  -0.091  -0.006  0.00  0.00    +0.015 C 
ATOM      4  C   LIG    1       -1.242  -1.301   0.153  0.00  0.00    +0.083 C 
ATOM      5  C   LIG    1       -0.645  -2.640  -0.063  0.00  0.00    +0.020 C 
ATOM      6  C   LIG    1        0.661  -2.882  -0.022  0.00  0.00    +0.028 C 
ATOM      7  C   LIG    1        1.561  -1.718   0.134  0.00  0.00    -0.016 A 
ATOM      8  C   LIG    1        2.934  -1.980   0.260  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.857  -0.936   0.340  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        3.420   0.383   0.279  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        2.050   0.652   0.152  0.00  0.00    +0.054 A 
ATOM     12  N   LIG    1       -1.675  -3.493  -0.344  0.00  0.00    -0.288 N 
ATOM     13  H   LIG    1       -1.625  -4.501  -0.380  0.00  0.00    +0.155 HD
ATOM     14  C   LIG    1       -2.842  -2.783  -0.671  0.00  0.00    +0.225 C 
ATOM     15  O   LIG    1       -3.946  -3.251  -0.879  0.00  0.00    -0.275 OA
ATOM     16  C   LIG    1       -2.384  -1.333  -0.857  0.00  0.00    +0.115 C 
ATOM     17  C   LIG    1        1.091  -0.370   0.091  0.00  0.00    -0.007 A 
ATOM     18  C   LIG    1       -3.214  -0.113  -0.634  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  20
ATOM     19  C   LIG    1       -4.580   2.354  -0.346  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -3.174   2.267  -0.153  0.00  0.00    -0.492 OA
ENDBRANCH   1  20
BRANCH   2  21
ATOM     21  O   LIG    1       -0.484   2.300  -0.319  0.00  0.00    -0.491 OA
ATOM     22  C   LIG    1       -0.469   3.021   0.915  0.00  0.00    +0.277 C 
ENDBRANCH   2  21
BRANCH  10  23
ATOM     23  O   LIG    1        4.215   1.495   0.335  0.00  0.00    -0.495 OA
ATOM     24  C   LIG    1        5.618   1.282   0.426  0.00  0.00    +0.277 C 
ENDBRANCH  10  23
TORSDOF 3