REMARK  Name = BDB053433
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.352  -1.270   0.481  0.00  0.00    +0.194 C 
ATOM      2  N   LIG    1       -0.692  -2.300  -0.346  0.00  0.00    -0.241 N 
ATOM      3  C   LIG    1       -1.915  -3.069  -0.358  0.00  0.00    +0.141 C 
ATOM      4  C   LIG    1        0.375  -2.581  -1.148  0.00  0.00    +0.271 C 
ATOM      5  O   LIG    1        0.496  -3.422  -2.018  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.391  -1.595  -0.688  0.00  0.00    +0.130 C 
ATOM      7  C   LIG    1        2.617  -1.541  -1.225  0.00  0.00    +0.041 C 
ATOM      8  N   LIG    1        0.867  -0.832   0.330  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        3.703  -0.624  -0.845  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        3.468   0.708  -0.472  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        4.555   1.504  -0.170  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        4.502   2.809   0.211  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        5.904   3.097   0.387  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        6.762   1.974   0.100  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        5.843   1.030  -0.235  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        6.118  -0.266  -0.609  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        5.034  -1.095  -0.922  0.00  0.00    +0.012 A 
ENDBRANCH   7   9
BRANCH   1  18
ATOM     18  N   LIG    1       -1.193  -0.746   1.425  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1       -0.680  -0.073   1.992  0.00  0.00    +0.155 HD
BRANCH  18  23
ATOM     20  C   LIG    1       -4.961   1.033   0.646  0.00  0.00    +0.120 A 
ATOM     21  C   LIG    1       -4.613   0.599   1.926  0.00  0.00    +0.047 A 
ATOM     22  C   LIG    1       -3.369   0.007   2.165  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1       -2.456  -0.178   1.122  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -2.801   0.281  -0.155  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1       -4.047   0.875  -0.394  0.00  0.00    +0.047 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -6.604   2.055  -0.734  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -6.204   1.592   0.550  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
ENDBRANCH  18  23
ENDBRANCH   1  18
TORSDOF 4