REMARK  Name = BDB048893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.863  -1.231  -0.547  0.00  0.00    +0.141 A 
ATOM      2  N   LIG    1       -1.502  -1.082  -0.690  0.00  0.00    -0.335 N 
ATOM      3  H   LIG    1       -0.966  -0.264  -0.454  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -0.981  -2.212  -1.264  0.00  0.00    +0.107 A 
ATOM      5  C   LIG    1       -2.098  -2.999  -1.497  0.00  0.00    +0.180 A 
ATOM      6  N   LIG    1       -2.048  -4.199  -2.111  0.00  0.00    -0.234 NA
ATOM      7  C   LIG    1       -0.811  -4.554  -2.508  0.00  0.00    +0.115 A 
ATOM      8  C   LIG    1        0.352  -3.812  -2.308  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.318  -2.585  -1.632  0.00  0.00    +0.059 A 
ATOM     10  N   LIG    1       -3.237  -2.402  -1.034  0.00  0.00    -0.208 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -5.573   1.683   1.197  0.00  0.00    +0.029 A 
ATOM     12  C   LIG    1       -4.186   1.903   1.151  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -3.290   0.973   0.594  0.00  0.00    +0.013 A 
ATOM     14  C   LIG    1       -3.752  -0.225   0.045  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -5.128  -0.456   0.068  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -6.015   0.480   0.625  0.00  0.00    +0.024 A 
BRANCH  11  18
ATOM     17  C   LIG    1       -7.862   2.270   1.908  0.00  0.00    +0.129 C 
ATOM     18  N   LIG    1       -6.455   2.627   1.739  0.00  0.00    -0.336 N 
ATOM     19  C   LIG    1       -5.935   3.607   2.690  0.00  0.00    +0.129 C 
ENDBRANCH  11  18
ENDBRANCH   1  14
BRANCH   9  20
ATOM     20  N   LIG    1        1.433  -1.799  -1.380  0.00  0.00    -0.326 N 
ATOM     21  C   LIG    1        2.661  -1.996  -2.167  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        3.686  -0.875  -1.867  0.00  0.00    +0.104 C 
ATOM     23  N   LIG    1        4.029  -0.679  -0.436  0.00  0.00    -0.291 NA
ATOM     24  C   LIG    1        3.119  -1.447   0.439  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1        1.636  -1.349   0.013  0.00  0.00    +0.120 C 
BRANCH  23  26
ATOM     26  C   LIG    1        5.435  -1.011  -0.131  0.00  0.00    +0.181 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.406  -0.080  -0.855  0.00  0.00    +0.233 C 
ATOM     28  N   LIG    1        6.590   1.228  -0.552  0.00  0.00    -0.264 N 
ATOM     29  H   LIG    1        7.220   1.697  -1.189  0.00  0.00    +0.157 HD
ATOM     30  O   LIG    1        7.071  -0.532  -1.801  0.00  0.00    -0.274 OA
BRANCH  28  31
ATOM     31  C   LIG    1        6.113   2.069   0.413  0.00  0.00    +0.164 A 
ATOM     32  S   LIG    1        5.133   1.595   1.716  0.00  0.00    -0.061 S 
ATOM     33  C   LIG    1        5.119   3.203   2.302  0.00  0.00    +0.068 A 
ATOM     34  C   LIG    1        5.878   3.994   1.470  0.00  0.00    +0.120 A 
ATOM     35  N   LIG    1        6.452   3.339   0.398  0.00  0.00    -0.233 NA
ENDBRANCH  28  31
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH   9  20
TORSDOF 6