REMARK  Name = BDB015500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.744   0.640  -0.436  0.00  0.00    +0.081 A 
ATOM      2  N   LIG    1        0.399   1.942  -0.498  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.878   2.244  -0.225  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.827   1.366   0.132  0.00  0.00    -0.178 NA
ATOM      5  C   LIG    1       -1.429   0.095   0.185  0.00  0.00    +0.145 A 
ATOM      6  C   LIG    1       -0.167  -0.345  -0.123  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        4.932   1.460  -3.177  0.00  0.00    +0.049 C 
ATOM      8  C   LIG    1        4.159   0.758  -2.107  0.00  0.00    +0.015 A 
ATOM      9  C   LIG    1        4.885  -0.295  -1.328  0.00  0.00    +0.254 A 
ATOM     10  O   LIG    1        6.054  -0.556  -1.601  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        4.154  -0.922  -0.311  0.00  0.00    -0.312 N 
ATOM     12  C   LIG    1        2.829  -0.593  -0.051  0.00  0.00    +0.099 A 
ATOM     13  C   LIG    1        2.157   0.330  -0.765  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        2.878   1.029  -1.815  0.00  0.00    +0.020 A 
BRANCH  11  15
ATOM     15  C   LIG    1        4.832  -1.947   0.510  0.00  0.00    +0.084 C 
ATOM     16  C   LIG    1        4.159  -3.317   0.394  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1        4.968  -1.510   1.971  0.00  0.00    +0.030 C 
ENDBRANCH  11  15
ENDBRANCH   1  13
BRANCH   5  18
ATOM     18  N   LIG    1       -2.499  -0.776   0.513  0.00  0.00    -0.203 N 
ATOM     19  H   LIG    1       -3.331  -0.186   0.590  0.00  0.00    +0.175 HD
BRANCH  18  20
ATOM     20  S   LIG    1       -2.321  -1.635   1.957  0.00  0.00    +0.047 S 
ATOM     21  O   LIG    1       -2.941  -0.833   2.989  0.00  0.00    -0.155 OA
ATOM     22  O   LIG    1       -0.953  -2.088   2.090  0.00  0.00    -0.155 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.355  -3.083   1.654  0.00  0.00    +0.145 C 
ATOM     24  C   LIG    1       -2.830  -3.908   0.484  0.00  0.00    +0.033 C 
ATOM     25  C   LIG    1       -4.816  -2.698   1.444  0.00  0.00    +0.033 C 
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   5  18
BRANCH   3  26
ATOM     26  O   LIG    1       -1.177   3.600  -0.263  0.00  0.00    -0.421 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -2.505   3.926  -0.374  0.00  0.00    +0.167 A 
ATOM     28  C   LIG    1       -3.251   3.597  -1.510  0.00  0.00    +0.168 A 
ATOM     29  F   LIG    1       -2.685   2.920  -2.520  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -4.584   3.972  -1.616  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1       -5.162   4.693  -0.579  0.00  0.00    +0.126 A 
ATOM     32  F   LIG    1       -6.447   5.060  -0.669  0.00  0.00    -0.205 F 
ATOM     33  C   LIG    1       -4.428   5.049   0.552  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1       -3.088   4.671   0.653  0.00  0.00    +0.052 A 
ENDBRANCH  26  27
ENDBRANCH   3  26
TORSDOF 7