REMARK  Name = BDB018677
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.129  -0.070  -0.267  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        1.195   0.218   0.734  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.113  -0.249   0.614  0.00  0.00    +0.037 A 
ATOM      4  N   LIG    1       -1.043   0.024   1.621  0.00  0.00    -0.285 N 
ATOM      5  H   LIG    1       -0.730   0.405   2.507  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.375  -0.291   1.543  0.00  0.00    +0.225 C 
ATOM      7  C   LIG    1       -2.904  -0.666   0.157  0.00  0.00    +0.069 C 
ATOM      8  C   LIG    1       -3.155   0.621  -0.650  0.00  0.00    +0.132 C 
ATOM      9  N   LIG    1       -4.630   0.868  -0.603  0.00  0.00    -0.268 N 
ATOM     10  C   LIG    1       -5.247  -0.140   0.292  0.00  0.00    +0.117 C 
ATOM     11  C   LIG    1       -1.893  -1.591  -0.531  0.00  0.00    +0.054 C 
ATOM     12  C   LIG    1       -4.288  -1.318   0.232  0.00  0.00    +0.037 C 
ATOM     13  O   LIG    1       -3.092  -0.190   2.536  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -0.501  -1.018  -0.488  0.00  0.00    -0.025 A 
ATOM     15  C   LIG    1        0.436  -1.315  -1.482  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1        1.743  -0.833  -1.376  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        3.198   3.027  -0.110  0.00  0.00    +0.068 C 
ATOM     18  C   LIG    1        3.972   1.761  -0.074  0.00  0.00    +0.068 A 
ATOM     19  C   LIG    1        3.485   0.428  -0.155  0.00  0.00    +0.025 A 
ATOM     20  C   LIG    1        4.612  -0.368  -0.077  0.00  0.00    +0.041 A 
ATOM     21  C   LIG    1        4.809  -1.836  -0.082  0.00  0.00    +0.065 C 
ATOM     22  N   LIG    1        5.664   0.500   0.031  0.00  0.00    -0.281 N 
ATOM     23  H   LIG    1        6.651   0.280   0.110  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        5.305   1.792   0.043  0.00  0.00    -0.178 NA
ENDBRANCH   1  19
BRANCH   9  25
ATOM     25  C   LIG    1       -5.194   2.048  -0.894  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1       -5.675   3.069  -1.148  0.00  0.00    -0.174 NA
ENDBRANCH   9  25
TORSDOF 2