REMARK  Name = BDB018742
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.801   0.002   0.817  0.00  0.00    -0.018 A 
ATOM      2  C   LIG    1       -0.359   0.403   0.130  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.574   0.588   0.804  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.793   1.095   0.079  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -4.095   0.635   0.754  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -4.383  -0.853   0.504  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -5.082  -0.896  -0.813  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -5.590   0.460  -1.134  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -4.026   0.869   2.258  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -2.830   0.589   2.866  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -2.834   0.620   3.879  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -4.996   1.197   2.937  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -5.325   1.290   0.116  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -1.630   0.382   2.183  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1       -0.491   0.002   2.888  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        0.713  -0.192   2.206  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     17  C   LIG    1        4.515  -0.577  -1.272  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        4.454   0.282  -0.170  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        3.244   0.465   0.510  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        2.072  -0.197   0.102  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        2.148  -1.045  -1.015  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        3.355  -1.231  -1.698  0.00  0.00    +0.013 A 
BRANCH  17  26
ATOM     23  C   LIG    1        8.216  -0.973  -1.938  0.00  0.00    +0.128 C 
ATOM     24  N   LIG    1        6.952  -0.658  -1.323  0.00  0.00    -0.314 N 
ATOM     25  H   LIG    1        6.909  -0.657  -0.313  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1        5.776  -0.800  -2.032  0.00  0.00    +0.244 C 
ATOM     27  O   LIG    1        5.733  -1.124  -3.214  0.00  0.00    -0.270 OA
ENDBRANCH  17  26
ENDBRANCH   1  20
BRANCH   7  28
ATOM     28  C   LIG    1       -5.489  -2.021  -1.415  0.00  0.00    +0.169 C 
ATOM     29  N   LIG    1       -5.841  -2.993  -1.934  0.00  0.00    -0.174 NA
ENDBRANCH   7  28
TORSDOF 3