REMARK  Name = BDB003917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.723   0.582   0.688  0.00  0.00    -0.314 N 
ATOM      2  C   LIG    1       -2.450  -0.680   0.856  0.00  0.00    +0.123 C 
ATOM      3  C   LIG    1       -3.905  -0.375   0.405  0.00  0.00    +0.068 C 
ATOM      4  C   LIG    1       -4.120  -0.877  -1.020  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -3.394  -1.709  -1.562  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -5.200  -0.395  -1.714  0.00  0.00    -0.252 N 
ATOM      7  H   LIG    1       -5.114  -0.668  -2.688  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -6.517  -0.564  -1.393  0.00  0.00    +0.243 C 
ATOM      9  O   LIG    1       -7.337  -0.784  -2.284  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -6.997  -0.477   0.002  0.00  0.00    +0.063 C 
ATOM     11  C   LIG    1       -6.341  -0.709   1.145  0.00  0.00    -0.021 C 
ATOM     12  C   LIG    1       -4.902  -1.069   1.333  0.00  0.00    +0.045 C 
ATOM     13  C   LIG    1       -3.966   1.163   0.493  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -2.566   1.599   0.079  0.00  0.00    +0.107 C 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        2.356   0.761  -0.149  0.00  0.00    +0.077 A 
ATOM     16  C   LIG    1        1.444   1.717  -0.562  0.00  0.00    +0.127 A 
ATOM     17  N   LIG    1        0.113   1.664  -0.295  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1       -0.371   0.614   0.406  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        0.495  -0.378   0.868  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        1.863  -0.311   0.588  0.00  0.00    +0.020 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.780   0.938  -0.506  0.00  0.00    +0.341 C 
ATOM     22  O   LIG    1        4.192   1.891  -1.144  0.00  0.00    -0.245 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.509  -0.094  -0.023  0.00  0.00    -0.455 OA
BRANCH  23  25
ATOM     24  C   LIG    1        6.658   1.024   0.424  0.00  0.00    +0.055 C 
ATOM     25  C   LIG    1        5.943  -0.156  -0.242  0.00  0.00    +0.106 C 
ATOM     26  C   LIG    1        6.272  -0.258  -1.735  0.00  0.00    +0.055 C 
ATOM     27  C   LIG    1        6.387  -1.454   0.449  0.00  0.00    +0.055 C 
ENDBRANCH  23  25
ENDBRANCH  21  23
ENDBRANCH  15  21
ENDBRANCH   1  18
TORSDOF 4