REMARK  Name = BDB012126
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.617  -0.202   0.152  0.00  0.00    +0.073 A 
ATOM      2  C   LIG    1       -0.474  -0.064   1.002  0.00  0.00    -0.009 A 
ATOM      3  C   LIG    1       -0.513   0.868   2.177  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -1.556  -0.973   0.652  0.00  0.00    +0.066 A 
ATOM      5  C   LIG    1       -1.201  -1.801  -0.398  0.00  0.00    +0.103 A 
ATOM      6  S   LIG    1        0.368  -1.478  -0.971  0.00  0.00    -0.062 S 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.862  -1.075   1.304  0.00  0.00    +0.246 C 
ATOM      8  N   LIG    1       -3.469   0.134   1.537  0.00  0.00    -0.307 N 
ATOM      9  H   LIG    1       -3.071   0.972   1.130  0.00  0.00    +0.149 HD
ATOM     10  O   LIG    1       -3.373  -2.154   1.572  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1       -4.840   0.229   1.985  0.00  0.00    +0.145 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.736   0.381   0.790  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -5.705   1.742   0.160  0.00  0.00    +0.254 A 
ATOM     14  O   LIG    1       -4.952   2.625   0.562  0.00  0.00    -0.268 OA
ATOM     15  N   LIG    1       -6.545   1.950  -0.905  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1       -6.507   2.874  -1.316  0.00  0.00    +0.169 HD
ATOM     17  C   LIG    1       -7.363   0.990  -1.446  0.00  0.00    +0.016 A 
ATOM     18  C   LIG    1       -8.186   1.382  -2.634  0.00  0.00    +0.063 C 
ATOM     19  C   LIG    1       -7.378  -0.235  -0.900  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -6.553  -0.556   0.259  0.00  0.00    -0.039 A 
ATOM     21  C   LIG    1       -6.701  -1.971   0.750  0.00  0.00    +0.044 C 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   4   7
BRANCH   5  22
ATOM     22  C   LIG    1       -2.026  -2.803  -1.002  0.00  0.00    +0.107 C 
ATOM     23  N   LIG    1       -2.685  -3.598  -1.532  0.00  0.00    -0.190 NA
ENDBRANCH   5  22
BRANCH   1  24
ATOM     24  N   LIG    1        1.768   0.542   0.154  0.00  0.00    -0.322 N 
BRANCH  24  25
ATOM     25  C   LIG    1        3.076  -0.137   0.224  0.00  0.00    +0.074 C 
ATOM     26  C   LIG    1        3.860   0.334   1.458  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1        5.212  -0.374   1.560  0.00  0.00    +0.020 C 
ATOM     28  C   LIG    1        6.045  -0.191   0.273  0.00  0.00    +0.056 C 
ATOM     29  C   LIG    1        5.249  -0.668  -0.958  0.00  0.00    +0.020 C 
ATOM     30  C   LIG    1        3.896   0.042  -1.059  0.00  0.00    +0.024 C 
BRANCH  28  31
ATOM     31  N   LIG    1        7.386  -0.788   0.434  0.00  0.00    -0.305 NA
ATOM     32  C   LIG    1        7.416  -2.250   0.429  0.00  0.00    +0.104 C 
ATOM     33  C   LIG    1        8.342  -0.265  -0.542  0.00  0.00    +0.104 C 
ENDBRANCH  28  31
ENDBRANCH  24  25
BRANCH  24  35
ATOM     34  C   LIG    1        1.197   2.283  -1.518  0.00  0.00    +0.024 C 
ATOM     35  C   LIG    1        1.697   1.985  -0.110  0.00  0.00    +0.102 C 
ENDBRANCH  24  35
ENDBRANCH   1  24
TORSDOF 8