REMARK  Name = BDB032941
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.853   0.149   0.839  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.916  -0.580   0.087  0.00  0.00    +0.032 A 
ATOM      3  C   LIG    1       -0.479  -0.458   0.273  0.00  0.00    -0.004 A 
ATOM      4  C   LIG    1       -0.932   0.468   1.234  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.009   1.216   1.979  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.364   1.069   1.767  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.377  -1.314  -0.523  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -1.398  -1.224  -1.925  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.271  -2.010  -2.681  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -3.133  -2.901  -2.047  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.119  -3.012  -0.659  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -2.245  -2.228   0.097  0.00  0.00    +0.008 A 
ENDBRANCH   3   7
BRANCH   4  13
ATOM     13  C   LIG    1       -2.372   0.727   1.523  0.00  0.00    +0.250 C 
ATOM     14  N   LIG    1       -3.156   0.922   0.412  0.00  0.00    -0.261 N 
ATOM     15  H   LIG    1       -2.760   0.874  -0.515  0.00  0.00    +0.157 HD
ATOM     16  O   LIG    1       -2.717   0.784   2.697  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1       -4.508   1.100   0.486  0.00  0.00    +0.166 A 
ATOM     18  S   LIG    1       -5.269   1.234  -1.037  0.00  0.00    -0.042 S 
ATOM     19  C   LIG    1       -6.779   1.400  -0.245  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1       -6.594   1.344   1.119  0.00  0.00    +0.139 A 
ATOM     21  N   LIG    1       -5.287   1.171   1.534  0.00  0.00    -0.232 NA
BRANCH  19  22
ATOM     22  C   LIG    1       -8.025   1.568  -0.909  0.00  0.00    +0.108 C 
ATOM     23  N   LIG    1       -9.044   1.705  -1.446  0.00  0.00    -0.190 NA
ENDBRANCH  19  22
ENDBRANCH  14  17
ENDBRANCH   4  13
BRANCH   1  24
ATOM     24  N   LIG    1        3.208   0.005   0.526  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1        3.413  -0.926   0.169  0.00  0.00    +0.146 HD
BRANCH  24  26
ATOM     26  C   LIG    1        4.225   0.490   1.455  0.00  0.00    +0.101 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.625   0.140   0.942  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1        7.399   0.562  -0.798  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        5.987   0.893  -0.341  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8