REMARK  Name = BDB053771
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.057   0.129  -0.866  0.00  0.00    +0.219 A 
ATOM      2  N   LIG    1       -0.767   1.330  -0.791  0.00  0.00    -0.278 N 
ATOM      3  C   LIG    1        0.139   2.373  -0.582  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1        1.427   1.837  -0.657  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1        2.531   2.701  -0.561  0.00  0.00    +0.030 A 
ATOM      6  C   LIG    1        2.261   4.045  -0.379  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.022   4.566  -0.311  0.00  0.00    -0.261 NA
ATOM      8  C   LIG    1       -0.049   3.748  -0.440  0.00  0.00    +0.137 A 
ATOM      9  C   LIG    1        1.295   0.433  -0.852  0.00  0.00    +0.106 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.354  -0.545  -1.047  0.00  0.00    +0.252 C 
ATOM     11  N   LIG    1        3.241  -0.766   0.004  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.072  -0.317   1.387  0.00  0.00    +0.123 C 
ATOM     13  C   LIG    1        4.422   0.046   2.035  0.00  0.00    +0.100 C 
ATOM     14  N   LIG    1        5.497  -0.948   1.884  0.00  0.00    -0.313 NA
ATOM     15  H   LIG    1        5.802  -1.281   2.797  0.00  0.00    +0.122 HD
ATOM     16  C   LIG    1        5.099  -2.088   1.049  0.00  0.00    +0.100 C 
ATOM     17  C   LIG    1        4.360  -1.678  -0.237  0.00  0.00    +0.123 C 
ATOM     18  O   LIG    1        2.467  -1.126  -2.125  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  19
ATOM     19  C   LIG    1       -2.167   1.508  -0.979  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1       -2.907   2.290  -0.083  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -4.277   2.463  -0.285  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -4.905   1.865  -1.377  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.166   1.091  -2.272  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1       -2.797   0.912  -2.076  0.00  0.00    +0.026 A 
ENDBRANCH   2  19
BRANCH   1  25
ATOM     25  O   LIG    1       -0.594  -1.097  -0.947  0.00  0.00    -0.438 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -0.830  -0.568   2.019  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -1.843  -1.280   1.172  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.677  -1.527  -0.205  0.00  0.00    +0.136 A 
ATOM     29  C   LIG    1       -2.610  -2.325  -0.901  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -2.381  -2.752  -2.326  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -3.750  -2.795  -0.234  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.962  -2.481   1.105  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -3.014  -1.737   1.802  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 4