REMARK  Name = BDB011187
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.894  -2.279   0.658  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        2.575  -2.025   0.230  0.00  0.00    +0.114 A 
ATOM      3  N   LIG    1        1.882  -2.988  -0.412  0.00  0.00    -0.250 NA
ATOM      4  C   LIG    1        0.585  -2.778  -0.703  0.00  0.00    +0.127 A 
ATOM      5  C   LIG    1       -0.051  -1.577  -0.475  0.00  0.00    +0.082 A 
ATOM      6  C   LIG    1        0.673  -0.510   0.018  0.00  0.00    +0.070 A 
ATOM      7  N   LIG    1        0.032   0.770  -0.022  0.00  0.00    -0.289 N 
ATOM      8  C   LIG    1       -1.383   0.868   0.002  0.00  0.00    +0.337 A 
ATOM      9  O   LIG    1       -1.896   1.983   0.127  0.00  0.00    -0.246 OA
ATOM     10  N   LIG    1       -2.100  -0.324  -0.158  0.00  0.00    -0.228 N 
ATOM     11  C   LIG    1       -1.483  -1.445  -0.715  0.00  0.00    +0.270 A 
ATOM     12  O   LIG    1       -2.027  -2.316  -1.391  0.00  0.00    -0.266 OA
ATOM     13  C   LIG    1        1.982  -0.767   0.515  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        2.694   0.118   1.354  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        3.988  -0.153   1.788  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.599  -1.341   1.419  0.00  0.00    +0.048 A 
ENDROOT
BRANCH  10  17
ATOM     17  C   LIG    1       -3.549  -0.359  -0.034  0.00  0.00    +0.058 A 
ATOM     18  C   LIG    1       -4.182  -1.574   0.308  0.00  0.00    +0.076 A 
ATOM     19  C   LIG    1       -5.555  -1.604   0.456  0.00  0.00    +0.168 A 
ATOM     20  O   LIG    1       -6.293  -2.696   0.791  0.00  0.00    -0.453 OA
ATOM     21  C   LIG    1       -7.623  -2.137   0.783  0.00  0.00    +0.466 C 
ATOM     22  O   LIG    1       -7.650  -0.729   0.472  0.00  0.00    -0.453 OA
ATOM     23  C   LIG    1       -6.327  -0.486   0.280  0.00  0.00    +0.166 A 
ATOM     24  C   LIG    1       -5.766   0.722  -0.053  0.00  0.00    +0.051 A 
ATOM     25  C   LIG    1       -4.372   0.780  -0.208  0.00  0.00    +0.030 A 
ENDBRANCH  10  17
BRANCH   7  26
ATOM     26  C   LIG    1        0.711   1.980  -0.571  0.00  0.00    +0.095 C 
ATOM     27  C   LIG    1        0.928   3.117   0.443  0.00  0.00    +0.040 C 
ATOM     28  C   LIG    1        1.416   4.378  -0.271  0.00  0.00    +0.083 C 
ATOM     29  N   LIG    1        2.621   4.128  -1.063  0.00  0.00    -0.316 NA
ATOM     30  H   LIG    1        3.381   3.837  -0.447  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1        2.391   3.098  -2.077  0.00  0.00    +0.083 C 
ATOM     32  C   LIG    1        1.959   1.772  -1.449  0.00  0.00    +0.040 C 
ENDBRANCH   7  26
BRANCH   1  34
ATOM     33  C   LIG    1        5.735  -3.820   0.700  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        4.412  -3.504   0.294  0.00  0.00    -0.493 OA
ENDBRANCH   1  34
TORSDOF 3