REMARK  Name = BDB052265
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.175  -1.879   1.117  0.00  0.00    +0.048 A 
ATOM      2  C   LIG    1       -0.087  -1.315   0.884  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -0.934  -1.904  -0.078  0.00  0.00    +0.029 A 
ATOM      4  C   LIG    1       -0.488  -3.032  -0.757  0.00  0.00    +0.066 A 
ATOM      5  N   LIG    1       -1.508  -3.368  -1.603  0.00  0.00    -0.276 N 
ATOM      6  H   LIG    1       -1.541  -4.145  -2.253  0.00  0.00    +0.189 HD
ATOM      7  N   LIG    1       -2.570  -2.552  -1.538  0.00  0.00    -0.173 NA
ATOM      8  C   LIG    1        0.760  -3.619  -0.532  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1       -2.239  -1.649  -0.603  0.00  0.00    +0.093 A 
ATOM     10  C   LIG    1        1.584  -3.018   0.424  0.00  0.00    +0.026 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        2.025  -1.256   2.075  0.00  0.00    -0.220 N 
ATOM     12  H   LIG    1        1.591  -0.683   2.797  0.00  0.00    +0.173 HD
BRANCH  11  14
ATOM     13  O   LIG    1        3.999   0.090   2.755  0.00  0.00    -0.155 OA
ATOM     14  S   LIG    1        3.530  -0.646   1.597  0.00  0.00    +0.047 S 
ATOM     15  O   LIG    1        4.307  -1.725   1.025  0.00  0.00    -0.155 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.070   0.529   0.309  0.00  0.00    +0.223 C 
BRANCH  16  17
ATOM     17  C   LIG    1        4.301   1.254  -0.167  0.00  0.00    -0.025 A 
ATOM     18  C   LIG    1        5.075   0.730  -1.214  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        6.217   1.400  -1.654  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        6.599   2.598  -1.053  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        5.842   3.124  -0.009  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.699   2.456   0.434  0.00  0.00    +0.005 A 
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH   1  11
BRANCH   9  23
ATOM     23  C   LIG    1       -3.090  -0.569  -0.193  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -4.323  -0.340  -0.677  0.00  0.00    +0.010 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.185   0.763  -0.235  0.00  0.00    -0.025 A 
ATOM     26  C   LIG    1       -4.697   2.064  -0.057  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -5.553   3.095   0.341  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -6.905   2.836   0.553  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.405   1.549   0.363  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -6.549   0.519  -0.036  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
ENDBRANCH   9  23
TORSDOF 6