REMARK  Name = BDB034832
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.794   0.070  -0.082  0.00  0.00    -0.012 A 
ATOM      2  C   LIG    1       -2.617   0.354  -0.792  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.384   0.028  -0.199  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -1.302  -0.565   1.063  0.00  0.00    +0.080 A 
ATOM      5  N   LIG    1       -0.021  -0.826   1.512  0.00  0.00    -0.225 NA
ATOM      6  C   LIG    1        0.843  -0.442   0.613  0.00  0.00    +0.165 A 
ATOM      7  C   LIG    1       -2.495  -0.844   1.758  0.00  0.00    +0.029 A 
ATOM      8  S   LIG    1        0.212   0.249  -0.812  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1       -3.730  -0.526   1.180  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -6.339  -1.909  -0.772  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1       -6.196  -0.446  -0.961  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1       -5.082   0.383  -0.663  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -5.495   1.644  -1.037  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1       -4.890   2.990  -1.006  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1       -6.759   1.570  -1.534  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1       -7.204   0.263  -1.484  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        2.205  -0.510   0.634  0.00  0.00    -0.264 N 
ATOM     18  H   LIG    1        2.702  -0.137  -0.168  0.00  0.00    +0.157 HD
ATOM     19  C   LIG    1        2.919  -1.009   1.700  0.00  0.00    +0.223 C 
ATOM     20  O   LIG    1        2.464  -1.448   2.751  0.00  0.00    -0.275 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.431  -0.993   1.475  0.00  0.00    +0.091 C 
ATOM     22  C   LIG    1        4.926   0.404   1.121  0.00  0.00    +0.098 C 
ATOM     23  N   LIG    1        4.845   0.402  -0.350  0.00  0.00    -0.289 NA
ATOM     24  C   LIG    1        5.405  -0.897  -0.749  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        4.850  -1.868   0.290  0.00  0.00    +0.029 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.579   1.542  -0.938  0.00  0.00    +0.203 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.415   1.647  -2.404  0.00  0.00    +0.078 C 
ATOM     28  N   LIG    1        5.295   1.724  -3.557  0.00  0.00    -0.195 NA
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  19  21
ENDBRANCH   6  17
TORSDOF 5