REMARK  Name = BDB032966
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.411  -0.217   0.069  0.00  0.00    +0.028 A 
ATOM      2  C   LIG    1        0.062  -0.423  -0.242  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1       -0.896   0.596  -0.083  0.00  0.00    +0.060 A 
ATOM      4  C   LIG    1       -0.507   1.875   0.367  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.829   2.064   0.724  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        1.764   1.026   0.597  0.00  0.00    +0.025 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.469   2.912   0.438  0.00  0.00    -0.285 N 
ATOM      8  H   LIG    1       -2.382   2.674   0.043  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1       -1.308   4.203   0.897  0.00  0.00    +0.214 C 
ATOM     10  O   LIG    1       -0.303   4.681   1.412  0.00  0.00    -0.276 OA
ATOM     11  C   LIG    1       -2.564   5.025   0.746  0.00  0.00    +0.109 C 
ENDBRANCH   4   7
BRANCH   3  12
ATOM     12  C   LIG    1       -2.333   0.306  -0.381  0.00  0.00    +0.252 C 
ATOM     13  N   LIG    1       -2.755  -0.959  -0.036  0.00  0.00    -0.261 N 
ATOM     14  H   LIG    1       -2.148  -1.594   0.463  0.00  0.00    +0.157 HD
ATOM     15  O   LIG    1       -3.025   1.209  -0.840  0.00  0.00    -0.270 OA
BRANCH  13  16
ATOM     16  C   LIG    1       -4.040  -1.380  -0.241  0.00  0.00    +0.167 A 
ATOM     17  S   LIG    1       -4.355  -2.955   0.346  0.00  0.00    -0.028 S 
ATOM     18  C   LIG    1       -5.957  -2.802  -0.207  0.00  0.00    +0.185 A 
ATOM     19  C   LIG    1       -6.155  -1.578  -0.801  0.00  0.00    +0.153 A 
ATOM     20  N   LIG    1       -5.038  -0.761  -0.818  0.00  0.00    -0.231 NA
BRANCH  18  21
ATOM     21  N   LIG    1       -6.915  -3.846  -0.045  0.00  0.00    +0.065 N 
ATOM     22  O   LIG    1       -6.551  -4.891   0.510  0.00  0.00    -0.126 OA
ATOM     23  O   LIG    1       -8.051  -3.622  -0.481  0.00  0.00    -0.126 OA
ENDBRANCH  18  21
ENDBRANCH  13  16
ENDBRANCH   3  12
BRANCH   1  24
ATOM     24  N   LIG    1        2.287  -1.300  -0.038  0.00  0.00    -0.344 N 
ATOM     25  H   LIG    1        2.038  -1.915  -0.810  0.00  0.00    +0.146 HD
BRANCH  24  26
ATOM     26  C   LIG    1        3.730  -1.079   0.056  0.00  0.00    +0.101 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.458  -2.409  -0.152  0.00  0.00    +0.018 C 
BRANCH  27  29
ATOM     28  C   LIG    1        6.669  -1.426  -0.961  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        5.971  -2.312   0.059  0.00  0.00    -0.002 C 
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 8