REMARK  Name = BDB016362
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.819   2.059   1.190  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -3.321   1.647  -0.193  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.283   0.633  -0.124  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.415   1.020   0.247  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.489  -0.690   0.289  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.740  -1.350   0.340  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.809  -2.679   0.807  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.673  -3.393   1.166  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.433  -2.788   1.053  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.999  -0.827  -0.015  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.806  -1.401   0.195  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -5.384   0.308  -0.646  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -6.592   0.502  -0.811  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.316  -1.457   0.609  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -4.383   1.267  -1.194  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.045  -0.902   0.491  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        0.597  -0.561  -0.739  0.00  0.00    +0.121 A 
ATOM     18  N   LIG    1        1.837  -0.038  -0.911  0.00  0.00    -0.240 NA
ATOM     19  C   LIG    1        2.616   0.157   0.174  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        2.132  -0.146   1.447  0.00  0.00    +0.044 A 
ATOM     21  C   LIG    1        0.851  -0.680   1.607  0.00  0.00    +0.013 A 
BRANCH  19  22
ATOM     22  N   LIG    1        3.881   0.711   0.005  0.00  0.00    -0.311 N 
ATOM     23  C   LIG    1        5.005   0.152   0.776  0.00  0.00    +0.134 C 
ATOM     24  C   LIG    1        6.170  -0.236  -0.151  0.00  0.00    +0.178 C 
ATOM     25  O   LIG    1        6.660   0.853  -0.946  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1        5.623   1.751  -1.376  0.00  0.00    +0.178 C 
ATOM     27  C   LIG    1        4.216   1.133  -1.366  0.00  0.00    +0.134 C 
ENDBRANCH  19  22
ENDBRANCH  14  16
TORSDOF 2