REMARK  Name = BDB016333
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.495  -1.347   0.177  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -1.676  -0.548   0.120  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1       -1.513   0.826  -0.063  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.734   1.048  -0.696  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.580   1.803  -0.002  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.682   1.433  -0.969  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.636   0.515  -0.270  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.189  -0.621   0.327  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.964  -1.179   0.666  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.847   0.750  -0.260  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -1.997   3.175  -0.345  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.900  -1.192   0.408  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.908  -2.553   0.780  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.740  -3.310   0.821  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -0.532  -2.712   0.502  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1        1.839  -1.080   0.739  0.00  0.00    -0.265 N 
ATOM     17  H   LIG    1        1.651  -1.628   1.566  0.00  0.00    +0.157 HD
ATOM     18  C   LIG    1        0.833  -0.737  -0.134  0.00  0.00    +0.251 C 
ATOM     19  O   LIG    1        0.929   0.012  -1.102  0.00  0.00    -0.270 OA
BRANCH  16  25
ATOM     20  C   LIG    1        6.258   0.930  -0.495  0.00  0.00    +0.065 C 
ATOM     21  C   LIG    1        5.091   0.233   0.085  0.00  0.00    +0.035 A 
ATOM     22  N   LIG    1        5.167  -0.495   1.238  0.00  0.00    -0.280 N 
ATOM     23  H   LIG    1        5.979  -0.652   1.826  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        4.002  -1.054   1.601  0.00  0.00    -0.158 NA
ATOM     25  C   LIG    1        3.144  -0.666   0.653  0.00  0.00    +0.147 A 
ATOM     26  C   LIG    1        3.777   0.137  -0.319  0.00  0.00    +0.068 A 
ENDBRANCH  16  25
ENDBRANCH   1  18
TORSDOF 2