REMARK  Name = BDB001000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.718  -0.502  -0.805  0.00  0.00    +0.040 C 
ATOM      2  C   LIG    1        1.974   0.605  -1.562  0.00  0.00    +0.028 C 
ATOM      3  C   LIG    1        0.783   0.039  -2.336  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1       -0.106  -0.766  -1.477  0.00  0.00    -0.301 N 
ATOM      5  C   LIG    1        0.597  -1.860  -0.788  0.00  0.00    +0.108 C 
ATOM      6  C   LIG    1        1.751  -1.324   0.058  0.00  0.00    +0.028 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.018  -0.058  -0.751  0.00  0.00    +0.199 A 
ATOM      8  N   LIG    1       -2.215  -0.597  -0.364  0.00  0.00    -0.311 N 
ATOM      9  C   LIG    1       -2.788  -1.915  -0.525  0.00  0.00    +0.133 C 
ATOM     10  C   LIG    1       -4.325  -1.908  -0.432  0.00  0.00    +0.101 C 
ATOM     11  C   LIG    1       -4.901  -0.978   0.641  0.00  0.00    +0.167 C 
ATOM     12  C   LIG    1       -4.171   0.284   0.868  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -4.633   1.407   1.550  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.832   2.558   1.617  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -2.562   2.610   1.001  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1       -2.099   1.470   0.330  0.00  0.00    +0.092 A 
ATOM     17  O   LIG    1       -5.951  -1.207   1.229  0.00  0.00    -0.292 OA
ATOM     18  C   LIG    1       -2.911   0.362   0.308  0.00  0.00    +0.081 A 
ATOM     19  N   LIG    1       -0.943   1.204  -0.364  0.00  0.00    -0.214 NA
ENDBRANCH   4   7
BRANCH   1  22
ATOM     20  C   LIG    1        2.860   1.406   1.978  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1        3.939   0.832   1.139  0.00  0.00    +0.059 A 
ATOM     22  C   LIG    1        3.860   0.047  -0.002  0.00  0.00    +0.041 A 
ATOM     23  N   LIG    1        5.171  -0.184  -0.348  0.00  0.00    -0.348 N 
ATOM     24  H   LIG    1        5.497  -0.718  -1.141  0.00  0.00    +0.166 HD
ATOM     25  C   LIG    1        5.966   0.436   0.569  0.00  0.00    +0.196 A 
ATOM     26  N   LIG    1        5.255   1.053   1.479  0.00  0.00    -0.241 NA
ENDBRANCH   1  22
TORSDOF 2