REMARK  Name = BDB012389
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.069  -1.833   1.454  0.00  0.00    -0.182 N 
ATOM      2  C   LIG    1        0.255  -1.069   2.300  0.00  0.00    +0.220 A 
ATOM      3  C   LIG    1       -0.123  -1.898   3.335  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        0.454  -3.136   3.043  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1        1.151  -3.122   1.912  0.00  0.00    -0.170 NA
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        2.367   0.123  -1.453  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        1.739  -0.160  -0.235  0.00  0.00    +0.063 A 
ATOM      8  C   LIG    1        1.738  -1.469   0.230  0.00  0.00    +0.158 A 
ATOM      9  N   LIG    1        2.363  -2.463  -0.465  0.00  0.00    -0.236 NA
ATOM     10  C   LIG    1        2.967  -2.161  -1.632  0.00  0.00    +0.114 A 
ATOM     11  C   LIG    1        2.994  -0.893  -2.169  0.00  0.00    +0.035 A 
BRANCH   6  13
ATOM     12  O   LIG    1        1.830   2.468  -1.374  0.00  0.00    -0.245 OA
ATOM     13  C   LIG    1        2.341   1.521  -1.943  0.00  0.00    +0.337 C 
BRANCH  13  14
ATOM     14  O   LIG    1        2.961   1.668  -3.127  0.00  0.00    -0.477 OA
ATOM     15  H   LIG    1        2.862   2.622  -3.330  0.00  0.00    +0.295 HD
ENDBRANCH  13  14
ENDBRANCH   6  13
ENDBRANCH   1   8
BRANCH   2  16
ATOM     16  O   LIG    1       -0.035   0.216   2.077  0.00  0.00    -0.468 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.429   0.509   1.933  0.00  0.00    +0.206 C 
ATOM     18  C   LIG    1       -1.847   0.338   0.496  0.00  0.00    -0.004 A 
ATOM     19  C   LIG    1       -1.797   1.563  -0.183  0.00  0.00    -0.038 A 
ATOM     20  C   LIG    1       -2.069   1.641  -1.538  0.00  0.00    +0.042 A 
ATOM     21  C   LIG    1       -2.412   0.465  -2.200  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1       -2.474  -0.762  -1.530  0.00  0.00    +0.039 A 
ATOM     23  F   LIG    1       -2.680   0.507  -3.512  0.00  0.00    -0.205 F 
ATOM     24  C   LIG    1       -1.362   2.663   0.734  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1       -2.186  -0.834  -0.166  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -1.629   2.027   2.108  0.00  0.00    +0.054 C 
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 5