REMARK  Name = BDB016363
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.482   1.970   2.597  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.410   1.325   1.562  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -1.591   0.842   0.460  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.792   1.451   0.290  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.199   0.464  -0.756  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.542   0.035  -0.894  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -4.039  -0.292  -2.173  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -3.231  -0.267  -3.303  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.895   0.075  -3.174  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.504  -0.115   0.128  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -5.444  -0.356  -0.164  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.431  -0.074   1.481  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.464  -0.275   2.127  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.359   0.428  -1.921  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -3.132   0.148   2.181  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1        0.078   0.755  -1.863  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        0.991  -0.071  -1.194  0.00  0.00    +0.059 A 
ATOM     18  C   LIG    1        2.341   0.274  -1.139  0.00  0.00    +0.160 A 
ATOM     19  C   LIG    1        2.747   1.448  -1.792  0.00  0.00    +0.158 A 
ATOM     20  N   LIG    1        1.896   2.261  -2.446  0.00  0.00    -0.236 NA
ATOM     21  C   LIG    1        0.592   1.900  -2.468  0.00  0.00    +0.121 A 
BRANCH  19  22
ATOM     22  N   LIG    1        4.072   1.884  -1.732  0.00  0.00    -0.340 N 
ATOM     23  H   LIG    1        4.172   2.676  -2.357  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        4.711   1.120  -1.919  0.00  0.00    +0.144 HD
ENDBRANCH  19  22
BRANCH  18  25
ATOM     25  O   LIG    1        3.321  -0.465  -0.527  0.00  0.00    -0.488 OA
BRANCH  25  26
ATOM     26  C   LIG    1        2.890  -1.464   0.395  0.00  0.00    +0.232 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.105  -2.010   1.082  0.00  0.00    +0.027 C 
ATOM     28  C   LIG    1        4.004  -2.602   2.465  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1        4.707  -1.287   2.260  0.00  0.00    +0.007 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  14  16
TORSDOF 5