REMARK  Name = BDB025140
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.104  -1.307  -2.699  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.172  -1.734  -1.732  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.487  -3.033  -1.115  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.680  -2.911  -0.154  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.288  -3.684  -0.430  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.692  -2.736   0.590  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.355  -1.429  -0.070  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        1.310  -0.637   0.459  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.542  -0.860   1.573  0.00  0.00    -0.230 NA
ATOM     10  C   LIG    1       -0.325   0.136   1.641  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1       -0.109   1.039   0.610  0.00  0.00    -0.323 N 
ATOM     12  C   LIG    1        0.918   0.532  -0.172  0.00  0.00    +0.070 A 
ATOM     13  C   LIG    1        1.520   0.963  -1.353  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.580   0.190  -1.854  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.054  -0.972  -1.218  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.920  -2.063  -3.226  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -0.793   2.304   0.313  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.112   2.087  -0.457  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.887   3.390  -0.709  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -3.000   4.287   0.535  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -2.345   3.703   1.783  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -0.906   3.283   1.498  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.289   4.162  -1.875  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -1.193   3.944  -2.370  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.103   5.140  -2.334  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -3.953   5.210  -1.866  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        6.069   0.458  -3.916  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        5.100   0.029  -2.957  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -1.363   0.219   2.713  0.00  0.00    +0.234 C 
BRANCH  29  30
ATOM     30  O   LIG    1       -2.665   0.192   2.131  0.00  0.00    -0.369 OA
BRANCH  30  31
ATOM     31  C   LIG    1       -3.284  -1.099   2.119  0.00  0.00    +0.123 C 
ATOM     32  C   LIG    1       -2.711  -2.030   1.042  0.00  0.00    +0.059 C 
ATOM     33  C   LIG    1       -3.542  -3.300   0.932  0.00  0.00    +0.162 C 
ATOM     34  O   LIG    1       -4.912  -2.991   0.667  0.00  0.00    -0.380 OA
ATOM     35  C   LIG    1       -5.501  -2.197   1.702  0.00  0.00    +0.162 C 
ATOM     36  C   LIG    1       -4.774  -0.871   1.851  0.00  0.00    +0.059 C 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7