REMARK  Name = BDB046035
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.114  -0.717  -0.270  0.00  0.00    +0.023 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        1.804   0.625  -0.003  0.00  0.00    +0.126 C 
BRANCH   2  11
ATOM      3  O   LIG    1        6.514   0.745  -2.794  0.00  0.00    -0.267 OA
ATOM      4  C   LIG    1        5.486   0.744  -2.125  0.00  0.00    +0.257 A 
ATOM      5  C   LIG    1        5.445   0.209  -0.746  0.00  0.00    +0.036 A 
ATOM      6  C   LIG    1        6.736  -0.351  -0.216  0.00  0.00    +0.042 C 
ATOM      7  C   LIG    1        6.543  -1.217   1.027  0.00  0.00    +0.005 C 
ATOM      8  C   LIG    1        5.597  -0.537   2.003  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1        4.228  -0.281   1.364  0.00  0.00    +0.054 C 
ATOM     10  C   LIG    1        4.281   0.228  -0.066  0.00  0.00    +0.032 A 
ATOM     11  N   LIG    1        3.113   0.711  -0.668  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        3.107   1.203  -1.974  0.00  0.00    +0.330 A 
ATOM     13  O   LIG    1        2.107   1.597  -2.569  0.00  0.00    -0.246 OA
ATOM     14  N   LIG    1        4.314   1.233  -2.608  0.00  0.00    -0.275 N 
ATOM     15  H   LIG    1        4.313   1.576  -3.555  0.00  0.00    +0.173 HD
ENDBRANCH   2  11
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1       -0.083  -0.978   0.652  0.00  0.00    +0.017 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.189   0.088   0.617  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -1.674   0.387  -0.735  0.00  0.00    -0.299 NA
ATOM     19  C   LIG    1       -2.446  -0.721  -1.345  0.00  0.00    +0.103 C 
ATOM     20  C   LIG    1       -3.833  -0.991  -0.716  0.00  0.00    +0.123 C 
ATOM     21  N   LIG    1       -4.624   0.242  -0.623  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1       -3.926   1.418  -0.087  0.00  0.00    +0.123 C 
ATOM     23  C   LIG    1       -2.537   1.592  -0.747  0.00  0.00    +0.103 C 
BRANCH  21  24
ATOM     24  C   LIG    1       -5.908   0.058  -0.107  0.00  0.00    +0.218 A 
ATOM     25  N   LIG    1       -6.468  -1.164  -0.176  0.00  0.00    -0.223 NA
ATOM     26  C   LIG    1       -7.720  -1.312   0.297  0.00  0.00    +0.116 A 
ATOM     27  C   LIG    1       -8.448  -0.290   0.846  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -7.806   0.919   0.882  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1       -6.556   1.112   0.421  0.00  0.00    -0.223 NA
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6