REMARK  Name = BDB025217
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.445   1.008   1.498  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.463   1.585   0.674  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.695   2.980   0.244  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.826   3.064  -0.795  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.464   3.695  -0.336  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.203   3.271   0.388  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.065   1.787   0.211  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.826   1.178  -0.080  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.399   1.765  -0.256  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.244   0.790  -0.513  0.00  0.00    +0.111 A 
ATOM     11  N   LIG    1       -0.597  -0.435  -0.517  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.737  -0.202  -0.236  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.858  -1.028  -0.111  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        3.083  -0.416   0.188  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.204   0.969   0.368  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.527   1.538   1.736  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.223  -1.729  -0.781  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -0.701  -2.387  -2.070  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -1.372  -3.733  -2.362  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -1.425  -4.657  -1.140  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -1.915  -3.973   0.137  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.154  -2.681   0.419  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.750  -3.514  -2.950  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -3.739  -3.112  -2.359  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -2.797  -3.781  -4.271  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.722  -3.588  -4.531  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        6.047  -0.722   2.969  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        5.075  -0.168   2.082  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.704   1.002  -0.783  0.00  0.00    +0.078 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.591   0.684   0.434  0.00  0.00    +0.001 C 
ATOM     31  C   LIG    1       -3.438   1.708   1.575  0.00  0.00    +0.032 C 
ATOM     32  C   LIG    1       -4.524   2.774   1.510  0.00  0.00    +0.160 C 
ATOM     33  O   LIG    1       -5.843   2.236   1.619  0.00  0.00    -0.380 OA
ATOM     34  C   LIG    1       -5.996   0.898   1.145  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1       -5.061   0.586  -0.012  0.00  0.00    +0.032 C 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6