REMARK  Name = BDB019049
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.737   0.126  -0.346  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        0.947   1.218  -0.786  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.417   1.028  -0.827  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.965   2.213  -1.248  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1       -0.045   3.123  -1.497  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.040  -0.185  -0.467  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.299  -1.180  -0.053  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.149   2.513  -1.205  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        1.070  -1.000  -0.011  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1        6.002   0.172  -0.103  0.00  0.00    +0.088 A 
ATOM     11  C   LIG    1        5.378   0.295  -1.346  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        3.983   0.282  -1.419  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        3.211   0.133  -0.257  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        3.854  -0.003   0.983  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        5.249   0.011   1.063  0.00  0.00    +0.027 A 
BRANCH  10  17
ATOM     16  C   LIG    1        8.169   1.893   0.193  0.00  0.00    +0.200 C 
ATOM     17  S   LIG    1        7.777   0.175  -0.008  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        8.150  -0.519   1.209  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        8.283  -0.257  -1.297  0.00  0.00    -0.170 OA
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  20
ATOM     20  N   LIG    1       -2.413  -0.284  -0.557  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.876   0.323  -1.223  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -3.076  -1.570  -0.419  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.557  -1.357  -0.300  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -5.139  -0.812   0.842  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.510  -0.306   2.086  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.760  -0.164   2.954  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.918  -0.037   2.097  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -6.509  -0.597   0.915  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -7.359  -0.904  -0.128  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.801  -1.457  -1.280  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.418  -1.677  -1.357  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.917  -2.192  -2.488  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
TORSDOF 5