REMARK  Name = BDB025000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.118  -0.295   0.139  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        3.989   0.464   0.504  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.277   1.882   0.789  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.580   2.651  -0.509  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.184   2.570   1.602  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.848   2.418   0.907  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.565   0.962   0.672  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.221   0.519   0.613  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.917   1.271   0.698  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.928   0.437   0.559  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.470  -0.875   0.468  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1       -0.089  -0.826   0.462  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.922  -1.777   0.366  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.254  -1.331   0.401  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.611   0.021   0.504  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.272   0.088   0.326  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -2.332  -2.060   0.407  0.00  0.00    +0.089 C 
ATOM     18  C   LIG    1       -2.369  -2.734  -0.975  0.00  0.00    +0.025 C 
ATOM     19  C   LIG    1       -1.581  -4.031  -1.101  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1       -1.831  -4.968   0.070  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1       -1.470  -4.314   1.394  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -2.212  -3.002   1.621  0.00  0.00    +0.025 C 
ENDBRANCH  11  17
BRANCH   1  24
ATOM     23  C   LIG    1        6.003  -2.187  -0.936  0.00  0.00    +0.282 C 
ATOM     24  O   LIG    1        4.849  -1.459  -0.514  0.00  0.00    -0.453 OA
ENDBRANCH   1  24
BRANCH  10  25
ATOM     25  C   LIG    1       -3.373   0.855   0.523  0.00  0.00    +0.110 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.582   2.270   0.014  0.00  0.00    -0.026 A 
ATOM     27  C   LIG    1       -3.375   2.636  -1.334  0.00  0.00    +0.062 A 
ATOM     28  C   LIG    1       -3.557   3.973  -1.729  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1       -3.938   4.944  -0.803  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -4.138   4.591   0.527  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.959   3.268   0.934  0.00  0.00    +0.005 A 
BRANCH  27  32
ATOM     32  C   LIG    1       -2.989   1.628  -2.361  0.00  0.00    +0.337 C 
ATOM     33  O   LIG    1       -3.221   0.434  -2.339  0.00  0.00    -0.245 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -2.317   2.182  -3.388  0.00  0.00    -0.477 OA
ATOM     35  H   LIG    1       -2.075   1.417  -3.950  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 6