REMARK  Name = BDB003519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.303  -0.471   0.500  0.00  0.00    -0.232 N 
ATOM      2  C   LIG    1       -1.887  -0.135  -0.788  0.00  0.00    +0.168 C 
ATOM      3  C   LIG    1       -3.400   0.008  -0.578  0.00  0.00    +0.167 C 
ATOM      4  C   LIG    1       -3.585  -0.789   0.665  0.00  0.00    +0.231 C 
ATOM      5  O   LIG    1       -4.649  -1.195   1.095  0.00  0.00    -0.286 OA
ATOM      6  C   LIG    1       -2.249  -0.961   1.374  0.00  0.00    +0.289 C 
ATOM      7  O   LIG    1       -2.175  -1.424   2.493  0.00  0.00    -0.266 OA
ENDROOT
BRANCH   1  13
ATOM      8  C   LIG    1        4.660   0.060   1.749  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1        3.505  -0.373   2.413  0.00  0.00    +0.063 A 
ATOM     10  C   LIG    1        2.277  -0.329   1.734  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1        2.178   0.131   0.422  0.00  0.00    +0.081 A 
ATOM     12  N   LIG    1        0.903   0.115  -0.115  0.00  0.00    -0.224 NA
ATOM     13  C   LIG    1        0.048  -0.350   0.769  0.00  0.00    +0.169 A 
ATOM     14  C   LIG    1        3.348   0.562  -0.231  0.00  0.00    +0.032 A 
ATOM     15  S   LIG    1        0.712  -0.782   2.279  0.00  0.00    -0.052 S 
ATOM     16  C   LIG    1        4.580   0.523   0.438  0.00  0.00    +0.048 A 
BRANCH   8  17
ATOM     17  O   LIG    1        5.801  -0.025   2.500  0.00  0.00    -0.492 OA
BRANCH  17  19
ATOM     18  C   LIG    1        8.133   0.235   2.909  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        7.017   0.412   1.896  0.00  0.00    +0.225 C 
ENDBRANCH  17  19
ENDBRANCH   8  17
ENDBRANCH   1  13
BRANCH   2  20
ATOM     20  C   LIG    1       -1.583  -1.246  -1.753  0.00  0.00    +0.127 A 
ATOM     21  O   LIG    1       -2.290  -2.405  -1.608  0.00  0.00    -0.466 OA
ATOM     22  C   LIG    1       -1.846  -3.263  -2.561  0.00  0.00    +0.195 A 
ATOM     23  C   LIG    1       -0.864  -2.672  -3.320  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1       -0.690  -1.368  -2.798  0.00  0.00    +0.046 A 
ENDBRANCH   2  20
BRANCH   3  25
ATOM     25  C   LIG    1       -3.802   1.443  -0.352  0.00  0.00    +0.211 C 
ATOM     26  O   LIG    1       -2.958   2.273  -0.011  0.00  0.00    -0.288 OA
BRANCH  25  27
ATOM     27  C   LIG    1       -5.202   1.774  -0.547  0.00  0.00    +0.171 A 
ATOM     28  O   LIG    1       -5.554   3.097  -0.520  0.00  0.00    -0.460 OA
ATOM     29  C   LIG    1       -6.893   3.170  -0.721  0.00  0.00    +0.196 A 
ATOM     30  C   LIG    1       -7.423   1.913  -0.881  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -6.335   1.011  -0.770  0.00  0.00    +0.053 A 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6