REMARK  Name = BDB019459
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.579   0.241  -1.782  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        1.746  -1.114  -1.591  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1        1.238  -2.086  -2.579  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        1.936  -3.415  -2.239  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        3.163  -2.996  -1.448  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        2.670  -1.775  -0.673  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1        0.993   0.646  -2.799  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1       -0.302  -2.223  -2.484  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1       -0.990  -1.137  -2.982  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.435  -0.298  -3.157  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.869  -3.202  -2.003  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.402  -0.959  -2.753  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -2.648  -0.246  -1.446  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -2.927  -0.973  -0.283  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1       -3.131  -0.317   0.935  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -3.046   1.079   1.015  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1       -2.756   1.806  -0.147  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1       -2.554   1.150  -1.366  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1       -3.250   1.754   2.297  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1       -4.330   1.719   3.170  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1       -5.610   0.985   2.985  0.00  0.00    +0.067 C 
ATOM     22  N   LIG    1       -4.170   2.464   4.331  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1       -2.997   3.054   4.321  0.00  0.00    +0.156 A 
ATOM     24  S   LIG    1       -2.015   2.758   2.952  0.00  0.00    -0.075 S 
ENDBRANCH  16  19
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1        4.212  -2.623  -2.340  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        4.515  -3.431  -2.790  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1        2.079   1.287  -0.779  0.00  0.00    +0.143 C 
BRANCH  27  28
ATOM     28  C   LIG    1        1.970   0.855   0.641  0.00  0.00    +0.149 A 
ATOM     29  O   LIG    1        3.098   0.845   1.401  0.00  0.00    -0.359 OA
ATOM     30  N   LIG    1        2.793   0.422   2.681  0.00  0.00    -0.083 NA
ATOM     31  C   LIG    1        1.472   0.205   2.688  0.00  0.00    +0.081 A 
ATOM     32  C   LIG    1        0.793  -0.245   3.922  0.00  0.00    +0.069 C 
ATOM     33  C   LIG    1        0.907   0.462   1.422  0.00  0.00    +0.071 A 
ENDBRANCH  27  28
BRANCH  27  35
ATOM     34  C   LIG    1        4.604   1.072  -1.384  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1        3.388   1.966  -1.205  0.00  0.00    +0.017 C 
ENDBRANCH  27  35
ENDBRANCH   1  27
TORSDOF 8