REMARK  Name = BDB059183
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.068   2.458  -0.814  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.924   1.986  -0.304  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.440   0.827  -0.812  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        1.070   0.152  -1.847  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1        2.248   0.721  -2.303  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        2.742   1.879  -1.810  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.814   0.388  -0.164  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -0.950  -0.901   0.387  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -2.143  -1.307   0.992  0.00  0.00    +0.166 A 
ATOM     10  C   LIG    1       -3.210  -0.399   1.069  0.00  0.00    +0.204 A 
ATOM     11  C   LIG    1       -3.091   0.907   0.568  0.00  0.00    +0.166 A 
ATOM     12  C   LIG    1       -1.898   1.283  -0.054  0.00  0.00    +0.059 A 
BRANCH   9  13
ATOM     13  O   LIG    1       -2.356  -2.544   1.544  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -1.401  -3.559   1.262  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
BRANCH  10  15
ATOM     15  O   LIG    1       -4.369  -0.771   1.714  0.00  0.00    -0.488 OA
ATOM     16  C   LIG    1       -5.280  -1.343   0.777  0.00  0.00    +0.277 C 
ENDBRANCH  10  15
BRANCH  11  17
ATOM     17  O   LIG    1       -4.186   1.718   0.715  0.00  0.00    -0.491 OA
ATOM     18  C   LIG    1       -4.023   3.097   0.413  0.00  0.00    +0.277 C 
ENDBRANCH  11  17
ENDBRANCH   3   7
BRANCH   4  19
ATOM     19  C   LIG    1        0.518  -1.031  -2.424  0.00  0.00    +0.104 C 
ATOM     20  N   LIG    1        0.052  -1.995  -2.874  0.00  0.00    -0.191 NA
ENDBRANCH   4  19
BRANCH   1  21
ATOM     21  S   LIG    1        2.703   3.984  -0.186  0.00  0.00    -0.073 S 
BRANCH  21  22
ATOM     22  C   LIG    1        2.462   3.692   1.589  0.00  0.00    +0.165 C 
BRANCH  22  24
ATOM     23  C   LIG    1        4.075   1.794   2.553  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        3.350   2.648   2.118  0.00  0.00    -0.094 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  S   LIG    1        3.222   0.022  -3.625  0.00  0.00    -0.027 S 
BRANCH  25  26
ATOM     26  C   LIG    1        4.006  -1.319  -2.830  0.00  0.00    +0.215 A 
ATOM     27  N   LIG    1        3.651  -1.775  -1.620  0.00  0.00    -0.145 NA
ATOM     28  N   LIG    1        4.505  -2.800  -1.460  0.00  0.00    -0.264 N 
ATOM     29  H   LIG    1        4.476  -3.350  -0.608  0.00  0.00    +0.190 HD
ATOM     30  C   LIG    1        5.315  -2.940  -2.540  0.00  0.00    +0.217 A 
ATOM     31  N   LIG    1        5.021  -2.020  -3.426  0.00  0.00    -0.209 NA
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 10