REMARK  Name = BDB053261
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.096  -2.321  -0.227  0.00  0.00    +0.117 A 
ATOM      2  C   LIG    1        0.475  -2.935  -1.342  0.00  0.00    +0.087 A 
ATOM      3  C   LIG    1        1.661  -2.391  -1.863  0.00  0.00    -0.027 A 
ATOM      4  C   LIG    1        2.329  -2.963  -3.085  0.00  0.00    +0.045 C 
ATOM      5  C   LIG    1        2.221  -1.271  -1.232  0.00  0.00    +0.048 A 
ATOM      6  C   LIG    1        1.612  -0.730  -0.107  0.00  0.00    +0.126 A 
ATOM      7  N   LIG    1        0.463  -1.241   0.376  0.00  0.00    -0.224 NA
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.130  -4.079  -1.960  0.00  0.00    +0.102 C 
ATOM      9  N   LIG    1       -0.584  -5.004  -2.496  0.00  0.00    -0.191 NA
ENDBRANCH   2   8
BRANCH   6  10
ATOM     10  N   LIG    1        2.101   0.381   0.583  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1        1.396   0.683   1.253  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        3.342   0.910   0.656  0.00  0.00    +0.120 A 
ATOM     13  N   LIG    1        4.496   0.244   0.342  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1        4.598  -0.718   0.045  0.00  0.00    +0.190 HD
ATOM     15  N   LIG    1        5.611   0.976   0.501  0.00  0.00    -0.178 NA
ATOM     16  C   LIG    1        5.162   2.137   0.994  0.00  0.00    +0.062 A 
ATOM     17  C   LIG    1        6.113   3.223   1.331  0.00  0.00    +0.067 C 
ATOM     18  C   LIG    1        3.754   2.135   1.129  0.00  0.00    +0.068 A 
ENDBRANCH  10  12
ENDBRANCH   6  10
BRANCH   1  19
ATOM     19  S   LIG    1       -1.603  -2.943   0.523  0.00  0.00    -0.105 S 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.194  -1.481   1.444  0.00  0.00    +0.076 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.761  -0.412   0.509  0.00  0.00    +0.011 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.281   0.787   1.306  0.00  0.00    +0.001 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.755   1.947   0.425  0.00  0.00    -0.000 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -6.165   1.147   0.159  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -4.901   1.625  -0.538  0.00  0.00    -0.003 C 
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9