REMARK  Name = BDB052542
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.510   0.070   0.072  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1       -1.864  -1.155  -0.116  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1       -0.463  -1.252  -0.113  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        0.352  -0.131   0.089  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -0.288   1.089   0.294  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1       -1.688   1.185   0.288  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -9.001  -0.637  -0.302  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -8.092   0.479  -0.752  0.00  0.00    +0.213 C 
ATOM      9  N   LIG    1       -6.737   0.340  -0.482  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1       -5.874   1.496  -0.752  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1       -4.403   1.114  -0.998  0.00  0.00    +0.124 C 
ATOM     12  N   LIG    1       -3.905   0.226   0.084  0.00  0.00    -0.327 N 
ATOM     13  C   LIG    1       -4.734  -0.985   0.237  0.00  0.00    +0.124 C 
ATOM     14  C   LIG    1       -6.203  -0.606   0.507  0.00  0.00    +0.126 C 
ATOM     15  O   LIG    1       -8.556   1.451  -1.348  0.00  0.00    -0.276 OA
ENDBRANCH   1  12
BRANCH   4  16
ATOM     16  N   LIG    1        1.739  -0.299   0.082  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        2.085  -1.232  -0.083  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.821   0.565   0.218  0.00  0.00    +0.220 A 
ATOM     19  N   LIG    1        4.024  -0.025   0.141  0.00  0.00    -0.214 NA
ATOM     20  C   LIG    1        5.120   0.754   0.255  0.00  0.00    +0.084 A 
ATOM     21  C   LIG    1        5.043   2.114   0.457  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        3.775   2.628   0.527  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        2.665   1.881   0.410  0.00  0.00    -0.223 NA
BRANCH  20  24
ATOM     24  C   LIG    1        6.391   0.027   0.159  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1        6.711  -1.273   0.540  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        5.811  -2.268   1.183  0.00  0.00    +0.067 C 
ATOM     27  N   LIG    1        8.022  -1.658   0.292  0.00  0.00    -0.249 NA
ATOM     28  C   LIG    1        8.682  -0.677  -0.279  0.00  0.00    +0.076 A 
ATOM     29  C   LIG    1       10.110  -0.753  -0.690  0.00  0.00    +0.073 C 
ATOM     30  S   LIG    1        7.786   0.758  -0.542  0.00  0.00    -0.071 S 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4