REMARK  Name = BDB063592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.171  -0.184   2.454  0.00  0.00    +0.153 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.997  -0.148   1.496  0.00  0.00    -0.029 A 
ATOM      3  C   LIG    1       -1.118  -1.108   0.484  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.183  -1.068  -0.428  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -2.242  -2.110  -1.509  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -3.168  -0.075  -0.282  0.00  0.00    +0.128 A 
ATOM      7  C   LIG    1       -3.011   0.954   0.660  0.00  0.00    -0.008 A 
ATOM      8  C   LIG    1       -3.952   2.122   0.746  0.00  0.00    +0.047 C 
ATOM      9  C   LIG    1       -1.937   0.889   1.560  0.00  0.00    +0.012 A 
BRANCH   6  10
ATOM     10  O   LIG    1       -4.230  -0.089  -1.139  0.00  0.00    -0.475 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -5.485  -0.561  -0.630  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -5.784  -1.895  -1.342  0.00  0.00    +0.067 C 
ATOM     13  C   LIG    1       -6.527   0.455  -1.142  0.00  0.00    +0.067 C 
BRANCH  11  14
ATOM     14  C   LIG    1       -5.752  -0.793   0.894  0.00  0.00    +0.348 C 
ATOM     15  O   LIG    1       -6.651  -0.255   1.528  0.00  0.00    -0.247 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.931  -1.693   1.488  0.00  0.00    -0.478 OA
ATOM     17  H   LIG    1       -4.201  -2.000   0.917  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   6  10
ENDBRANCH   1   2
BRANCH   1  21
ATOM     18  N   LIG    1        3.217   0.896   0.779  0.00  0.00    -0.246 N 
ATOM     19  C   LIG    1        2.290  -0.091   1.152  0.00  0.00    +0.316 C 
ATOM     20  O   LIG    1        2.304  -1.282   0.876  0.00  0.00    -0.252 OA
ATOM     21  N   LIG    1        1.321   0.505   1.915  0.00  0.00    -0.220 N 
ATOM     22  C   LIG    1        1.561   1.835   2.064  0.00  0.00    +0.241 C 
ATOM     23  O   LIG    1        0.885   2.636   2.694  0.00  0.00    -0.273 OA
ATOM     24  C   LIG    1        2.829   2.181   1.319  0.00  0.00    +0.211 C 
BRANCH  18  28
ATOM     25  C   LIG    1        6.729   0.436  -1.593  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        5.902  -0.656  -1.336  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        4.747  -0.510  -0.554  0.00  0.00    +0.024 A 
ATOM     28  C   LIG    1        4.382   0.729  -0.017  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        5.215   1.824  -0.297  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1        6.370   1.681  -1.079  0.00  0.00    +0.016 A 
BRANCH  25  32
ATOM     31  C   LIG    1        9.033  -1.075  -1.768  0.00  0.00    +0.090 C 
ATOM     32  S   LIG    1        8.197   0.305  -2.594  0.00  0.00    -0.129 S 
ENDBRANCH  25  32
ENDBRANCH  18  28
ENDBRANCH   1  21
TORSDOF 8