REMARK  Name = BDB003037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.437  -0.221   0.093  0.00  0.00    -0.269 N 
ATOM      2  H   LIG    1       -1.906   0.634   0.149  0.00  0.00    +0.156 HD
ATOM      3  C   LIG    1       -1.697  -1.331  -0.251  0.00  0.00    +0.306 C 
ATOM      4  N   LIG    1       -0.333  -1.211   0.075  0.00  0.00    -0.285 N 
ATOM      5  C   LIG    1        0.518  -2.309  -0.379  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        1.987  -1.910  -0.436  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        2.448  -1.326   0.902  0.00  0.00    +0.081 C 
ATOM      8  C   LIG    1        1.544  -0.154   1.298  0.00  0.00    +0.032 C 
ATOM      9  C   LIG    1        0.082  -0.580   1.331  0.00  0.00    +0.110 C 
ATOM     10  O   LIG    1       -2.139  -2.326  -0.819  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -6.623   0.357   0.021  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1       -5.747   1.429   0.176  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.363   1.209   0.192  0.00  0.00    +0.027 A 
ATOM     14  C   LIG    1       -3.838  -0.081   0.048  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -4.719  -1.151  -0.097  0.00  0.00    +0.027 A 
ATOM     16  C   LIG    1       -6.101  -0.930  -0.113  0.00  0.00    +0.047 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -8.567   1.724   0.093  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1       -7.988   0.429  -0.011  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  C   LIG    1        3.869  -0.894   0.827  0.00  0.00    +0.231 A 
ATOM     20  O   LIG    1        4.759  -1.570   1.609  0.00  0.00    -0.337 OA
ATOM     21  N   LIG    1        6.006  -0.995   1.374  0.00  0.00    -0.056 NA
ATOM     22  C   LIG    1        5.745  -0.035   0.475  0.00  0.00    +0.209 A 
ATOM     23  N   LIG    1        4.420   0.059   0.112  0.00  0.00    -0.191 NA
BRANCH  22  24
ATOM     24  C   LIG    1        6.840   0.911  -0.122  0.00  0.00    +0.060 A 
ATOM     25  S   LIG    1        8.494   0.850   0.287  0.00  0.00    -0.093 S 
ATOM     26  C   LIG    1        8.864   2.143  -0.773  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        7.745   2.611  -1.426  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1        6.570   1.896  -1.048  0.00  0.00    +0.019 A 
ENDBRANCH  22  24
ENDBRANCH   7  19
TORSDOF 4