REMARK  Name = BDB041518
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.937   0.857   1.901  0.00  0.00    +0.078 S 
ATOM      2  O   LIG    1       -0.610   0.226   3.160  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1       -1.589   2.146   1.816  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -1.466  -1.516   0.586  0.00  0.00    +0.147 A 
ATOM      5  C   LIG    1       -1.978  -0.301   1.035  0.00  0.00    +0.150 A 
ATOM      6  C   LIG    1       -3.325   0.032   0.814  0.00  0.00    +0.036 A 
ATOM      7  C   LIG    1       -4.186  -0.844   0.133  0.00  0.00    -0.039 A 
ATOM      8  C   LIG    1       -3.634  -2.056  -0.333  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.292  -2.388  -0.117  0.00  0.00    +0.048 A 
BRANCH   7  10
ATOM     10  C   LIG    1       -5.674  -0.524  -0.143  0.00  0.00    -0.003 C 
ATOM     11  C   LIG    1       -5.892  -0.519  -1.685  0.00  0.00    +0.039 C 
ATOM     12  C   LIG    1       -6.991   0.450  -2.100  0.00  0.00    +0.160 C 
ATOM     13  O   LIG    1       -6.675   1.800  -1.763  0.00  0.00    -0.380 OA
ATOM     14  C   LIG    1       -5.949   1.969  -0.544  0.00  0.00    +0.160 C 
ATOM     15  C   LIG    1       -6.185   0.828   0.438  0.00  0.00    +0.039 C 
ATOM     16  C   LIG    1       -6.538  -1.633   0.509  0.00  0.00    +0.016 C 
ENDBRANCH   7  10
BRANCH   4  18
ATOM     17  C   LIG    1        0.032  -2.865   1.701  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -0.138  -1.817   0.737  0.00  0.00    -0.493 OA
ENDBRANCH   4  18
ENDBRANCH   1   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.427   0.898   0.936  0.00  0.00    -0.180 N 
ATOM     20  H   LIG    1        0.576   0.026   0.434  0.00  0.00    +0.177 HD
ATOM     21  C   LIG    1        1.544   1.698   1.260  0.00  0.00    +0.281 C 
ATOM     22  O   LIG    1        1.562   2.474   2.201  0.00  0.00    -0.267 OA
BRANCH  21  23
ATOM     23  C   LIG    1        2.722   1.540   0.339  0.00  0.00    +0.131 A 
ATOM     24  N   LIG    1        3.929   1.845   0.875  0.00  0.00    -0.208 NA
ATOM     25  C   LIG    1        5.018   1.706   0.092  0.00  0.00    +0.220 A 
ATOM     26  C   LIG    1        4.970   1.262  -1.227  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1        3.712   0.953  -1.759  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        2.571   1.092  -0.970  0.00  0.00    +0.033 A 
BRANCH  25  29
ATOM     29  O   LIG    1        6.258   2.018   0.607  0.00  0.00    -0.479 OA
ATOM     30  C   LIG    1        6.219   2.457   1.963  0.00  0.00    +0.279 C 
ENDBRANCH  25  29
BRANCH  26  31
ATOM     31  C   LIG    1        6.218   1.113  -2.054  0.00  0.00    +0.184 C 
BRANCH  31  32
ATOM     32  N   LIG    1        7.027  -0.050  -1.696  0.00  0.00    -0.267 N 
ATOM     33  N   LIG    1        8.361  -0.004  -1.909  0.00  0.00    -0.179 NA
ATOM     34  C   LIG    1        8.789  -1.209  -1.528  0.00  0.00    +0.134 A 
ATOM     35  C   LIG    1        7.738  -2.044  -1.114  0.00  0.00    +0.041 A 
ATOM     36  C   LIG    1        6.606  -1.276  -1.255  0.00  0.00    +0.108 A 
ENDBRANCH  31  32
ENDBRANCH  26  31
ENDBRANCH  21  23
ENDBRANCH   1  19
TORSDOF 8