REMARK  Name = BDB019456
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.223  -1.254  -0.707  0.00  0.00    +0.229 C 
ATOM      2  N   LIG    1       -2.566  -1.987   0.302  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -1.151  -1.639   0.511  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -0.382  -2.565  -0.426  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -1.153  -3.868  -0.259  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -2.598  -3.431   0.047  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -2.677  -1.052  -1.793  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.794  -0.133   0.459  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        0.553   0.150   0.384  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1        1.212  -0.577   0.145  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -1.633   0.759   0.575  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        1.003   1.518   0.278  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.498   1.601   0.429  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        3.075   1.705   1.702  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        4.463   1.769   1.848  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        5.299   1.721   0.726  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        4.723   1.602  -0.544  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        3.335   1.543  -0.692  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.751   1.783   0.873  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        7.725   0.842   0.567  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        7.508  -0.523   0.016  0.00  0.00    +0.067 C 
ATOM     22  N   LIG    1        9.029   1.246   0.817  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1        9.028   2.466   1.304  0.00  0.00    +0.156 A 
ATOM     24  S   LIG    1        7.495   3.202   1.497  0.00  0.00    -0.075 S 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   1  25
ATOM     25  C   LIG    1       -4.686  -0.851  -0.374  0.00  0.00    +0.102 C 
ATOM     26  C   LIG    1       -5.611  -1.998  -0.817  0.00  0.00    +0.029 C 
ATOM     27  C   LIG    1       -4.880  -0.600   1.134  0.00  0.00    +0.029 C 
BRANCH  25  32
ATOM     28  C   LIG    1       -5.047   3.733  -2.670  0.00  0.00    +0.069 C 
ATOM     29  C   LIG    1       -5.256   2.395  -2.076  0.00  0.00    +0.081 A 
ATOM     30  N   LIG    1       -6.485   1.871  -2.010  0.00  0.00    -0.083 NA
ATOM     31  O   LIG    1       -6.335   0.642  -1.395  0.00  0.00    -0.358 OA
ATOM     32  C   LIG    1       -5.020   0.427  -1.102  0.00  0.00    +0.152 A 
ATOM     33  C   LIG    1       -4.299   1.526  -1.512  0.00  0.00    +0.071 A 
ENDBRANCH  25  32
ENDBRANCH   1  25
BRANCH   5  34
ATOM     34  O   LIG    1       -0.618  -4.581   0.855  0.00  0.00    -0.390 OA
ATOM     35  H   LIG    1        0.220  -4.986   0.570  0.00  0.00    +0.210 HD
ENDBRANCH   5  34
TORSDOF 7