REMARK  Name = BDB052201
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.024  -2.999   1.411  0.00  0.00    +0.139 A 
ATOM      2  C   LIG    1       -0.690  -1.783   1.198  0.00  0.00    +0.121 A 
ATOM      3  C   LIG    1        0.020  -0.782   0.551  0.00  0.00    +0.152 A 
ATOM      4  O   LIG    1       -0.437   0.495   0.288  0.00  0.00    -0.458 OA
ATOM      5  C   LIG    1        0.638   1.208  -0.238  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        1.764   0.281  -0.638  0.00  0.00    +0.117 C 
ATOM      7  C   LIG    1        1.767   0.011  -2.145  0.00  0.00    +0.033 C 
ATOM      8  C   LIG    1        3.071   0.909  -0.186  0.00  0.00    +0.169 C 
ATOM      9  O   LIG    1        3.997   0.220   0.260  0.00  0.00    -0.295 OA
ATOM     10  C   LIG    1        3.253   2.400  -0.389  0.00  0.00    +0.192 C 
ATOM     11  C   LIG    1        1.974   3.192  -0.528  0.00  0.00    +0.177 C 
ATOM     12  O   LIG    1        1.974   4.388  -0.814  0.00  0.00    -0.291 OA
ATOM     13  C   LIG    1        0.685   2.541  -0.213  0.00  0.00    +0.090 C 
ATOM     14  C   LIG    1        1.342  -0.954   0.110  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1        1.989  -2.152   0.338  0.00  0.00    +0.128 A 
ATOM     16  C   LIG    1        1.300  -3.186   0.968  0.00  0.00    +0.092 A 
ENDROOT
BRANCH   2  17
ATOM     17  C   LIG    1       -2.074  -1.560   1.681  0.00  0.00    +0.252 C 
ATOM     18  N   LIG    1       -2.903  -0.861   0.833  0.00  0.00    -0.304 N 
ATOM     19  H   LIG    1       -2.518  -0.403   0.016  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -2.428  -1.957   2.785  0.00  0.00    -0.270 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -4.215  -0.445   1.263  0.00  0.00    +0.179 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.942   0.110   0.097  0.00  0.00    +0.122 A 
ATOM     23  O   LIG    1       -4.412   1.229  -0.481  0.00  0.00    -0.466 OA
ATOM     24  C   LIG    1       -5.224   1.561  -1.518  0.00  0.00    +0.195 A 
ATOM     25  C   LIG    1       -6.264   0.668  -1.621  0.00  0.00    +0.041 A 
ATOM     26  C   LIG    1       -6.083  -0.272  -0.578  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH   2  17
BRANCH  10  27
ATOM     27  C   LIG    1        4.196   2.682  -1.532  0.00  0.00    +0.148 C 
ATOM     28  O   LIG    1        4.156   2.021  -2.570  0.00  0.00    -0.296 OA
ATOM     29  C   LIG    1        5.169   3.820  -1.367  0.00  0.00    +0.087 C 
ENDBRANCH  10  27
BRANCH   1  31
ATOM     30  C   LIG    1       -0.277  -4.271   3.314  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -0.681  -4.071   1.959  0.00  0.00    -0.494 OA
ENDBRANCH   1  31
BRANCH  15  32
ATOM     32  O   LIG    1        3.277  -2.374  -0.034  0.00  0.00    -0.506 OA
ATOM     33  H   LIG    1        3.777  -1.532   0.030  0.00  0.00    +0.292 HD
ENDBRANCH  15  32
TORSDOF 6