REMARK  Name = BDB051616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.693  -0.541   0.232  0.00  0.00    +0.065 A 
ATOM      2  C   LIG    1       -0.198   0.713  -0.151  0.00  0.00    +0.029 A 
ATOM      3  C   LIG    1        1.181   0.927  -0.254  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        2.090  -0.101   0.022  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        1.594  -1.347   0.403  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.213  -1.571   0.509  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -5.480   0.369   0.102  0.00  0.00    +0.064 A 
ATOM      8  C   LIG    1       -4.203  -0.220   0.238  0.00  0.00    +0.105 A 
ATOM      9  C   LIG    1       -4.091  -1.597   0.640  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1       -2.760  -1.898   0.691  0.00  0.00    +0.123 A 
ATOM     11  N   LIG    1       -2.101  -0.743   0.332  0.00  0.00    -0.239 N 
ATOM     12  C   LIG    1       -5.121  -2.484   0.931  0.00  0.00    +0.011 A 
ATOM     13  C   LIG    1       -6.380  -1.870   0.787  0.00  0.00    +0.001 A 
ATOM     14  N   LIG    1       -2.964   0.278   0.056  0.00  0.00    -0.166 NA
ATOM     15  C   LIG    1       -6.557  -0.508   0.391  0.00  0.00    +0.015 A 
BRANCH   7  19
ATOM     16  N   LIG    1       -4.624   2.537  -0.561  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1       -3.683   2.160  -0.477  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1       -4.757   3.498  -0.840  0.00  0.00    +0.145 HD
ATOM     19  C   LIG    1       -5.717   1.765  -0.302  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -6.853   2.213  -0.401  0.00  0.00    -0.270 OA
ENDBRANCH   7  19
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  N   LIG    1        3.461   0.204  -0.107  0.00  0.00    -0.285 N 
ATOM     22  H   LIG    1        3.670   1.153  -0.393  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        4.548  -0.632   0.107  0.00  0.00    +0.223 C 
ATOM     24  O   LIG    1        4.460  -1.813   0.457  0.00  0.00    -0.275 OA
BRANCH  23  25
ATOM     25  C   LIG    1        5.923   0.029  -0.127  0.00  0.00    +0.103 C 
ATOM     26  C   LIG    1        6.242   1.367   0.560  0.00  0.00    +0.095 C 
ATOM     27  N   LIG    1        6.866   1.844  -0.688  0.00  0.00    -0.314 NA
ATOM     28  H   LIG    1        7.884   1.752  -0.690  0.00  0.00    +0.122 HD
ATOM     29  C   LIG    1        6.184   0.777  -1.444  0.00  0.00    +0.095 C 
ENDBRANCH  23  25
ENDBRANCH   4  21
TORSDOF 4