REMARK  Name = BDB034998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.085  -2.878  -0.451  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1        3.762  -1.464  -0.057  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1        2.587  -0.860  -0.505  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1        2.374   0.474  -0.094  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1        1.212   1.088  -0.536  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        0.300   0.418  -1.359  0.00  0.00    -0.009 A 
ATOM      7  C   LIG    1        0.596  -0.893  -1.692  0.00  0.00    +0.116 A 
ATOM      8  N   LIG    1        3.222   1.168   0.691  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        4.337   0.555   1.107  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1        1.713  -1.534  -1.288  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1        4.649  -0.746   0.755  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        5.204   1.304   1.895  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1        4.756   2.203   2.059  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1        5.428   0.832   2.763  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1       -0.969   1.076  -1.824  0.00  0.00    +0.153 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.051   0.867  -0.891  0.00  0.00    -0.230 N 
ATOM     17  C   LIG    1       -2.348   1.712   0.142  0.00  0.00    +0.254 C 
ATOM     18  O   LIG    1       -1.817   2.761   0.451  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -3.479   1.117   0.852  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1       -3.805  -0.061   0.204  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1       -4.841  -0.869   0.632  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1       -5.555  -0.446   1.758  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -5.222   0.756   2.418  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.168   1.556   1.964  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1       -2.883  -0.218  -0.918  0.00  0.00    +0.254 C 
ATOM     26  O   LIG    1       -2.895  -1.152  -1.697  0.00  0.00    -0.270 OA
ENDBRANCH  15  16
ENDBRANCH   6  15
TORSDOF 3