REMARK  Name = BDB019451
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.939   0.638   1.432  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.860   1.334   2.002  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1       -0.488   0.945   1.648  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1       -0.223  -0.257   2.555  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1       -0.905   0.167   3.865  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.861   1.315   3.467  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -3.692  -0.058   2.122  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        0.050   0.876   0.208  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        0.100  -0.373  -0.363  0.00  0.00    -0.310 N 
ATOM     10  H   LIG    1       -0.612  -1.045  -0.073  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1        0.360   1.898  -0.404  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        0.579  -0.557  -1.716  0.00  0.00    +0.139 C 
BRANCH  12  13
ATOM     13  C   LIG    1        2.057  -0.849  -1.727  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        2.525  -2.163  -1.603  0.00  0.00    +0.006 A 
ATOM     15  C   LIG    1        3.898  -2.430  -1.593  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1        4.827  -1.387  -1.699  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        4.358  -0.072  -1.810  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        2.987   0.195  -1.821  0.00  0.00    +0.006 A 
BRANCH  16  19
ATOM     19  C   LIG    1        6.265  -1.655  -1.672  0.00  0.00    +0.042 A 
ATOM     20  C   LIG    1        7.248  -1.197  -0.804  0.00  0.00    +0.053 A 
ATOM     21  C   LIG    1        7.059  -0.309   0.374  0.00  0.00    +0.067 C 
ATOM     22  N   LIG    1        8.534  -1.638  -1.089  0.00  0.00    -0.252 NA
ATOM     23  C   LIG    1        8.511  -2.412  -2.149  0.00  0.00    +0.156 A 
ATOM     24  S   LIG    1        6.979  -2.666  -2.867  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        0.077   0.642   4.780  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        0.615  -0.122   5.053  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -3.224   0.874  -0.082  0.00  0.00    +0.164 C 
BRANCH  27  30
ATOM     28  C   LIG    1       -4.304  -2.653  -1.155  0.00  0.00    +0.109 C 
ATOM     29  C   LIG    1       -3.460  -1.483  -0.717  0.00  0.00    +0.213 C 
ATOM     30  N   LIG    1       -4.084  -0.239  -0.589  0.00  0.00    -0.293 N 
ATOM     31  C   LIG    1       -5.535  -0.129  -0.458  0.00  0.00    +0.133 C 
ATOM     32  O   LIG    1       -2.258  -1.647  -0.489  0.00  0.00    -0.276 OA
ENDBRANCH  27  30
BRANCH  27  33
ATOM     33  C   LIG    1       -3.758   2.303  -0.394  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -4.685   2.888   0.678  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -2.612   3.291  -0.648  0.00  0.00    +0.009 C 
ENDBRANCH  27  33
ENDBRANCH   1  27
TORSDOF 8