REMARK  Name = BDB007871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.737  -0.074   1.394  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1        1.697   1.068   0.985  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1        1.469   2.266   1.082  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        2.844   0.508   0.421  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1        2.685  -0.915   0.268  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        1.714  -1.262   1.378  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.674  -0.403  -1.168  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1       -2.503   0.886  -0.366  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -1.057   1.040   0.133  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.367  -0.240   0.410  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1       -1.332  -1.265   0.821  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -2.223  -1.633  -0.371  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1       -4.051  -0.605  -1.793  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1       -4.160  -1.097  -2.918  0.00  0.00    -0.292 OA
BRANCH  13  19
ATOM     15  C   LIG    1       -7.727   0.489   0.156  0.00  0.00    +0.123 A 
ATOM     16  C   LIG    1       -6.675  -0.043   0.924  0.00  0.00    -0.008 A 
ATOM     17  C   LIG    1       -6.833  -0.239   2.408  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1       -5.469  -0.407   0.299  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -5.301  -0.229  -1.076  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1       -6.358   0.284  -1.835  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -7.562   0.645  -1.222  0.00  0.00    +0.046 A 
BRANCH  15  23
ATOM     22  C   LIG    1       -9.956   1.338   0.109  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -8.863   0.813   0.851  0.00  0.00    -0.495 OA
ENDBRANCH  15  23
ENDBRANCH  13  19
ENDBRANCH   7  13
ENDBRANCH   1  10
BRANCH   4  24
ATOM     24  C   LIG    1        3.739   1.317  -0.393  0.00  0.00    +0.182 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.101   0.674  -0.603  0.00  0.00    +0.127 A 
ATOM     26  N   LIG    1        5.205  -0.163  -1.683  0.00  0.00    -0.309 N 
ATOM     27  H   LIG    1        4.420  -0.333  -2.295  0.00  0.00    +0.170 HD
ATOM     28  C   LIG    1        6.347  -0.852  -1.967  0.00  0.00    +0.257 A 
ATOM     29  O   LIG    1        6.417  -1.646  -2.896  0.00  0.00    -0.267 OA
ATOM     30  C   LIG    1        7.478  -0.585  -1.065  0.00  0.00    +0.064 A 
ATOM     31  C   LIG    1        8.781  -1.260  -1.341  0.00  0.00    +0.202 C 
ATOM     32  O   LIG    1        9.858  -0.694  -0.576  0.00  0.00    -0.375 OA
ATOM     33  C   LIG    1        9.500  -0.514   0.796  0.00  0.00    +0.166 C 
ATOM     34  C   LIG    1        8.399   0.539   0.918  0.00  0.00    +0.084 C 
ATOM     35  C   LIG    1        7.271   0.259  -0.042  0.00  0.00    +0.056 A 
ATOM     36  N   LIG    1        6.079   0.891   0.219  0.00  0.00    -0.237 NA
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 6