REMARK  Name = BDB003171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.187  -0.041   0.046  0.00  0.00    -0.115 NA
ATOM      2  N   LIG    1        0.296   0.047  -0.830  0.00  0.00    -0.181 NA
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        5.771   0.538   1.019  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1        4.662   0.680   0.015  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1        3.424   0.268   0.449  0.00  0.00    -0.216 NA
ATOM      6  C   LIG    1        2.431   0.367  -0.378  0.00  0.00    +0.250 A 
ATOM      7  N   LIG    1        2.572   0.861  -1.644  0.00  0.00    -0.290 N 
ATOM      8  H   LIG    1        1.754   0.906  -2.229  0.00  0.00    +0.172 HD
ATOM      9  C   LIG    1        3.763   1.284  -2.137  0.00  0.00    +0.253 A 
ATOM     10  O   LIG    1        3.905   1.728  -3.270  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1        4.895   1.175  -1.208  0.00  0.00    +0.093 A 
ENDBRANCH   1   6
BRANCH   2  12
ATOM     12  C   LIG    1       -1.049  -0.377  -0.364  0.00  0.00    +0.129 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -1.023  -1.881  -0.018  0.00  0.00    +0.031 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.379  -2.509   0.362  0.00  0.00    -0.015 C 
ATOM     15  C   LIG    1       -2.185  -3.993   0.689  0.00  0.00    +0.007 C 
ATOM     16  C   LIG    1       -3.428  -2.357  -0.739  0.00  0.00    +0.007 C 
ENDBRANCH  13  14
ENDBRANCH  12  13
BRANCH  12  17
ATOM     17  C   LIG    1       -1.540   0.512   0.795  0.00  0.00    +0.031 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.532   2.028   0.504  0.00  0.00    -0.015 C 
ATOM     19  C   LIG    1       -1.969   2.796   1.755  0.00  0.00    +0.007 C 
ATOM     20  C   LIG    1       -2.436   2.402  -0.672  0.00  0.00    +0.007 C 
ENDBRANCH  17  18
ENDBRANCH  12  17
ENDBRANCH   2  12
TORSDOF 6