REMARK  Name = BDB034047
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.147   1.521   0.180  0.00  0.00    +0.096 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -0.229   3.742  -0.461  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -0.318   2.705   0.445  0.00  0.00    -0.311 N 
ATOM      4  H   LIG    1        0.082   2.830   1.367  0.00  0.00    +0.149 HD
ATOM      5  O   LIG    1       -0.823   3.746  -1.532  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1        0.779   5.988  -0.998  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1        0.668   4.866   0.018  0.00  0.00    +0.092 C 
ENDBRANCH   2   7
ENDBRANCH   1   3
BRANCH   1   8
ATOM      8  C   LIG    1       -0.716   0.331   1.058  0.00  0.00    +0.086 C 
BRANCH   8   9
ATOM      9  C   LIG    1        0.669  -0.136   0.717  0.00  0.00    +0.081 A 
ATOM     10  S   LIG    1        2.003   0.290   1.710  0.00  0.00    -0.072 S 
ATOM     11  C   LIG    1        3.058  -0.581   0.664  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        2.310  -1.141  -0.370  0.00  0.00    +0.078 A 
ATOM     13  C   LIG    1        2.977  -1.902  -1.349  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        4.363  -2.082  -1.269  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        5.109  -1.518  -0.228  0.00  0.00    -0.044 A 
ATOM     16  C   LIG    1        4.451  -0.755   0.756  0.00  0.00    +0.021 A 
ATOM     17  N   LIG    1        0.950  -0.884  -0.327  0.00  0.00    -0.244 NA
BRANCH  15  18
ATOM     18  C   LIG    1        6.612  -1.738  -0.178  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        7.378  -0.418  -0.295  0.00  0.00    +0.012 C 
ATOM     20  C   LIG    1        7.028  -2.500   1.083  0.00  0.00    +0.012 C 
ENDBRANCH  15  18
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   1  21
ATOM     21  C   LIG    1       -2.643   1.865   0.380  0.00  0.00    +0.126 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.548   0.852  -0.129  0.00  0.00    -0.312 N 
ATOM     23  H   LIG    1       -3.697   0.809  -1.130  0.00  0.00    +0.149 HD
ATOM     24  C   LIG    1       -4.085  -0.134   0.678  0.00  0.00    +0.233 C 
ATOM     25  O   LIG    1       -3.858  -0.190   1.884  0.00  0.00    -0.274 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -5.027  -1.112  -0.063  0.00  0.00    +0.094 C 
ATOM     27  C   LIG    1       -4.335  -1.819  -1.235  0.00  0.00    +0.031 C 
ATOM     28  C   LIG    1       -5.135  -3.101  -1.468  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1       -5.901  -3.370  -0.174  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1       -5.439  -2.302   0.812  0.00  0.00    +0.031 C 
BRANCH  26  31
ATOM     31  N   LIG    1       -6.226  -0.381  -0.533  0.00  0.00    -0.317 NA
ATOM     32  H   LIG    1       -6.734  -0.040   0.285  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -5.940   0.453  -1.044  0.00  0.00    +0.119 HD
ENDBRANCH  26  31
ENDBRANCH  24  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 9