REMARK  Name = BDB007876
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.126  -0.432  -1.061  0.00  0.00    +0.145 C 
ATOM      2  C   LIG    1       -2.034   0.809  -1.186  0.00  0.00    +0.233 C 
ATOM      3  O   LIG    1       -1.957   1.877  -0.595  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1       -2.992   0.527  -2.150  0.00  0.00    -0.293 N 
ATOM      5  C   LIG    1       -2.940  -0.836  -2.603  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1       -2.101  -1.524  -1.545  0.00  0.00    +0.047 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        2.327  -1.127   0.176  0.00  0.00    +0.063 C 
ATOM      8  C   LIG    1        1.300  -2.193  -0.237  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -0.022  -1.996   0.503  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -0.610  -0.661   0.310  0.00  0.00    -0.291 NA
ATOM     11  C   LIG    1        0.359   0.363   0.741  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1        1.719   0.273   0.042  0.00  0.00    +0.027 C 
BRANCH   7  13
ATOM     13  C   LIG    1        3.587  -1.233  -0.678  0.00  0.00    +0.166 C 
ATOM     14  O   LIG    1        3.549  -1.698  -1.817  0.00  0.00    -0.292 OA
BRANCH  13  19
ATOM     15  C   LIG    1        7.430   0.128   0.760  0.00  0.00    +0.123 A 
ATOM     16  C   LIG    1        7.301  -0.461  -0.509  0.00  0.00    -0.008 A 
ATOM     17  C   LIG    1        8.499  -0.635  -1.403  0.00  0.00    +0.047 C 
ATOM     18  C   LIG    1        6.038  -0.893  -0.947  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1        4.900  -0.747  -0.141  0.00  0.00    +0.018 A 
ATOM     20  C   LIG    1        5.041  -0.159   1.119  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        6.297   0.274   1.565  0.00  0.00    +0.046 A 
BRANCH  15  23
ATOM     22  C   LIG    1        8.868   1.126   2.382  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        8.695   0.519   1.108  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       -4.059   1.435  -2.520  0.00  0.00    +0.181 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.180   1.302  -1.547  0.00  0.00    +0.126 A 
ATOM     26  N   LIG    1       -5.062   1.737  -0.247  0.00  0.00    -0.338 N 
ATOM     27  H   LIG    1       -4.232   2.148   0.172  0.00  0.00    +0.167 HD
ATOM     28  C   LIG    1       -6.245   1.471   0.376  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -7.037   0.883  -0.564  0.00  0.00    +0.093 A 
ATOM     30  C   LIG    1       -8.478   0.379  -0.381  0.00  0.00    +0.030 A 
ATOM     31  C   LIG    1       -9.225   0.373   0.731  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -8.981   0.795   1.978  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -7.902   1.381   2.510  0.00  0.00    +0.053 A 
ATOM     34  C   LIG    1       -6.608   1.757   1.803  0.00  0.00    +0.204 A 
ATOM     35  O   LIG    1       -5.785   2.356   2.471  0.00  0.00    -0.286 OA
ATOM     36  N   LIG    1       -6.374   0.777  -1.760  0.00  0.00    -0.231 NA
ENDBRANCH  24  25
ENDBRANCH   4  24
TORSDOF 6