REMARK  Name = BDB059242
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.492  -0.605   1.526  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1        1.175  -0.607   0.323  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.733  -0.363  -0.561  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1        1.081  -0.618   2.605  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   9
ATOM      5  C   LIG    1       -3.084  -1.188   2.558  0.00  0.00    +0.121 A 
ATOM      6  C   LIG    1       -3.789  -0.670   1.469  0.00  0.00    +0.057 A 
ATOM      7  C   LIG    1       -3.114  -0.101   0.375  0.00  0.00    +0.021 A 
ATOM      8  C   LIG    1       -1.709  -0.070   0.390  0.00  0.00    +0.025 A 
ATOM      9  C   LIG    1       -0.994  -0.607   1.467  0.00  0.00    +0.042 A 
ATOM     10  C   LIG    1       -1.690  -1.154   2.551  0.00  0.00    +0.058 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -3.864   0.453  -0.753  0.00  0.00    +0.135 A 
ATOM     12  O   LIG    1       -3.120   0.969  -1.779  0.00  0.00    -0.463 OA
ATOM     13  C   LIG    1       -3.983   1.434  -2.717  0.00  0.00    +0.196 A 
ATOM     14  C   LIG    1       -5.281   1.224  -2.320  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -5.206   0.591  -1.054  0.00  0.00    +0.050 A 
ENDBRANCH   7  11
BRANCH   5  17
ATOM     16  C   LIG    1       -5.051  -1.744   3.781  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -3.633  -1.754   3.675  0.00  0.00    -0.495 OA
ENDBRANCH   5  17
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  N   LIG    1        2.674  -0.279   0.408  0.00  0.00    -0.108 NA
ATOM     19  H   LIG    1        2.957  -0.217   1.401  0.00  0.00    +0.172 HD
BRANCH  18  20
ATOM     20  S   LIG    1        3.093   1.192  -0.362  0.00  0.00    +0.074 S 
ATOM     21  O   LIG    1        2.103   1.435  -1.394  0.00  0.00    -0.152 OA
ATOM     22  O   LIG    1        3.364   2.157   0.680  0.00  0.00    -0.152 OA
BRANCH  20  23
ATOM     23  C   LIG    1        4.619   0.747  -1.145  0.00  0.00    +0.107 A 
ATOM     24  C   LIG    1        5.833   1.150  -0.583  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1        7.028   0.807  -1.217  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.004   0.074  -2.405  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.787  -0.315  -2.968  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1        4.588   0.024  -2.341  0.00  0.00    +0.028 A 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   2  18
TORSDOF 6