REMARK  Name = BDB023937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.156   5.102   0.764  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -1.741   3.716   0.666  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.868   2.668   0.400  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.499   1.346   0.195  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -0.491   0.246   0.170  0.00  0.00    +0.035 A 
ATOM      6  C   LIG    1       -0.587  -1.136  -0.123  0.00  0.00    +0.165 A 
ATOM      7  N   LIG    1        0.621  -1.713  -0.220  0.00  0.00    -0.152 NA
ATOM      8  N   LIG    1        1.494  -0.739   0.105  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1        0.874   0.463   0.281  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        1.481   1.800   0.490  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1        0.517   2.860  -0.072  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -2.949   3.544   0.833  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1       -1.729  -1.951  -0.429  0.00  0.00    -0.299 N 
ATOM     14  C   LIG    1       -3.048  -1.823   0.009  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1       -3.833  -2.694  -0.761  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.231  -2.712  -0.580  0.00  0.00    +0.010 A 
ATOM     17  C   LIG    1       -5.811  -1.906   0.402  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1       -5.015  -1.115   1.220  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -2.955  -3.453  -1.572  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1       -3.627  -1.077   1.050  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1       -1.677  -3.043  -1.285  0.00  0.00    +0.094 A 
ENDBRANCH   6  13
BRANCH   8  22
ATOM     22  C   LIG    1        2.908  -1.090   0.147  0.00  0.00    +0.112 C 
ATOM     23  C   LIG    1        3.658  -0.641  -1.110  0.00  0.00    +0.055 C 
ATOM     24  C   LIG    1        5.125  -1.031  -1.006  0.00  0.00    +0.162 C 
ATOM     25  O   LIG    1        5.697  -0.506   0.191  0.00  0.00    -0.380 OA
ATOM     26  C   LIG    1        5.087  -1.042   1.365  0.00  0.00    +0.162 C 
ATOM     27  C   LIG    1        3.621  -0.639   1.425  0.00  0.00    +0.055 C 
ENDBRANCH   8  22
TORSDOF 2