REMARK  Name = BDB034042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.021   1.706  -1.619  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.216   3.742  -2.371  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -1.128   2.377  -2.236  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1       -1.931   1.796  -2.489  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.328   4.506  -2.009  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -2.608   5.698  -3.136  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -2.515   4.189  -3.010  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1        0.019   1.911  -0.092  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.183   1.248   0.576  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1        2.625   2.121   0.890  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        3.326   0.714   1.592  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.403  -0.330   1.532  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        2.768  -1.585   2.052  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.038  -1.764   2.616  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.960  -0.712   2.674  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        4.603   0.546   2.155  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1        1.187  -0.014   0.948  0.00  0.00    -0.244 NA
BRANCH  15  18
ATOM     18  C   LIG    1        6.327  -0.947   3.298  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.453  -0.738   2.283  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        6.537  -0.071   4.535  0.00  0.00    +0.012 C 
ENDBRANCH  15  18
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1        0.059   0.217  -2.047  0.00  0.00    +0.126 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -0.925  -0.630  -1.398  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -0.675  -1.062  -0.506  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -2.280  -0.561  -1.642  0.00  0.00    +0.233 C 
ATOM     25  O   LIG    1       -2.769   0.196  -2.478  0.00  0.00    -0.274 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -3.111  -1.549  -0.768  0.00  0.00    +0.094 C 
ATOM     27  C   LIG    1       -4.599  -1.158  -0.798  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -5.503  -2.124  -0.027  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -5.064  -3.585  -0.126  0.00  0.00    +0.000 C 
ATOM     30  C   LIG    1       -4.172  -3.841  -1.331  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -2.901  -2.986  -1.306  0.00  0.00    +0.031 C 
BRANCH  26  32
ATOM     32  N   LIG    1       -2.588  -1.466   0.623  0.00  0.00    -0.317 NA
ATOM     33  H   LIG    1       -2.796  -0.540   1.001  0.00  0.00    +0.119 HD
ATOM     34  H   LIG    1       -3.088  -2.125   1.218  0.00  0.00    +0.119 HD
ENDBRANCH  26  32
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9