REMARK  Name = BDB032783
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.215   1.162   1.636  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        1.163   1.181   1.374  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        1.779  -0.025   1.093  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        3.189  -0.292   0.781  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        3.310  -1.663   0.613  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        2.028  -2.353   0.725  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        4.053   0.555   0.669  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.089  -1.237   1.051  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1       -0.271  -1.274   1.298  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -0.920  -0.067   1.591  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        4.535  -2.292   0.123  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        4.777  -3.711   0.663  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        4.273  -4.154   1.692  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.649  -4.492  -0.060  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        5.791  -5.428   0.294  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        6.101  -4.271  -1.335  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        6.678  -5.152  -1.960  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        5.875  -2.890  -1.896  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        4.560  -2.311  -1.408  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.954   2.439   1.952  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.816   2.727   0.851  0.00  0.00    -0.446 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -3.421   4.088  -0.007  0.00  0.00    -0.275 N 
ATOM     23  H   LIG    1       -4.042   4.865   0.173  0.00  0.00    +0.153 HD
ATOM     24  C   LIG    1       -2.584   3.825   1.033  0.00  0.00    +0.401 C 
ATOM     25  O   LIG    1       -2.559   4.544   2.024  0.00  0.00    -0.226 OA
BRANCH  22  27
ATOM     26  C   LIG    1       -2.445   3.091  -2.070  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1       -3.681   3.261  -1.178  0.00  0.00    +0.103 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.435   1.995  -0.804  0.00  0.00    -0.027 A 
ATOM     29  C   LIG    1       -5.780   2.100  -0.401  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -6.514   0.968  -0.036  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.913  -0.289  -0.066  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -4.579  -0.413  -0.454  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -3.843   0.720  -0.818  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6