REMARK  Name = BDB025192
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.301  -0.112  -1.093  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.489  -0.616  -0.062  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.998  -1.691   0.826  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        6.110  -1.170   1.755  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.938  -2.357   1.717  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.640  -2.533   0.964  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.171  -1.168   0.554  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.810  -0.800   0.625  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.253  -1.537   1.077  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.323  -0.778   0.932  0.00  0.00    +0.118 A 
ATOM     11  N   LIG    1       -0.973   0.463   0.419  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.394   0.458   0.207  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.300   1.397  -0.291  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.649   1.023  -0.366  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.103  -0.239   0.038  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        4.989   0.744  -1.914  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.886   1.577   0.170  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.593   2.794   1.069  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.577   3.953   0.834  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.694   4.296  -0.656  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.997   3.076  -1.526  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.971   1.966  -1.313  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.929   3.666   1.458  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.266   2.649   2.040  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.783   4.702   1.352  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -5.594   4.394   1.810  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.382  -0.267  -2.183  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.526  -0.721  -1.133  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.711  -1.202   1.314  0.00  0.00    +0.150 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.526  -1.707   0.145  0.00  0.00    +0.136 A 
ATOM     31  N   LIG    1       -3.753  -3.035   0.060  0.00  0.00    -0.237 NA
ATOM     32  C   LIG    1       -4.479  -3.476  -0.987  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.712  -4.953  -1.089  0.00  0.00    +0.066 C 
ATOM     34  C   LIG    1       -4.996  -2.622  -1.938  0.00  0.00    +0.043 A 
ATOM     35  C   LIG    1       -4.729  -1.285  -1.758  0.00  0.00    +0.114 A 
ATOM     36  N   LIG    1       -4.007  -0.800  -0.733  0.00  0.00    -0.240 NA
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6