REMARK  Name = BDB051219
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.464   1.917   1.227  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1       -1.542   2.707   1.157  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1       -2.592   2.260   0.439  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -2.556   1.034  -0.200  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1       -1.417   0.272  -0.057  0.00  0.00    +0.129 A 
ATOM      6  N   LIG    1       -0.364   0.712   0.646  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.756   3.173   0.367  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -5.073   2.701   0.203  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -6.160   3.580   0.131  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.955   4.953   0.226  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -4.666   5.447   0.399  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -3.582   4.566   0.472  0.00  0.00    +0.010 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1       -1.230  -0.979  -0.653  0.00  0.00    -0.285 N 
ATOM     14  H   LIG    1       -0.266  -1.259  -0.472  0.00  0.00    +0.155 HD
BRANCH  13  15
ATOM     15  C   LIG    1       -2.135  -1.881  -1.096  0.00  0.00    +0.120 A 
ATOM     16  N   LIG    1       -1.706  -2.993  -1.776  0.00  0.00    -0.264 N 
ATOM     17  H   LIG    1       -0.754  -3.236  -2.023  0.00  0.00    +0.190 HD
ATOM     18  N   LIG    1       -2.692  -3.824  -2.151  0.00  0.00    -0.178 NA
ATOM     19  C   LIG    1       -3.800  -3.231  -1.691  0.00  0.00    +0.062 A 
ATOM     20  C   LIG    1       -5.128  -3.858  -1.887  0.00  0.00    +0.067 C 
ATOM     21  C   LIG    1       -3.503  -2.018  -1.023  0.00  0.00    +0.068 A 
ENDBRANCH  13  15
ENDBRANCH   5  13
BRANCH   1  22
ATOM     22  S   LIG    1        0.914   2.545   2.165  0.00  0.00    -0.050 S 
BRANCH  22  26
ATOM     23  C   LIG    1        4.284  -0.433   1.192  0.00  0.00    +0.033 A 
ATOM     24  C   LIG    1        3.857   0.487   0.233  0.00  0.00    +0.024 A 
ATOM     25  C   LIG    1        2.832   1.396   0.526  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1        2.211   1.389   1.778  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        2.646   0.480   2.745  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        3.674  -0.424   2.453  0.00  0.00    +0.024 A 
BRANCH  23  30
ATOM     29  C   LIG    1        6.021  -1.606  -0.189  0.00  0.00    +0.217 C 
ATOM     30  N   LIG    1        5.308  -1.379   0.979  0.00  0.00    -0.286 N 
ATOM     31  H   LIG    1        5.543  -1.963   1.773  0.00  0.00    +0.155 HD
ATOM     32  O   LIG    1        5.866  -1.034  -1.262  0.00  0.00    -0.275 OA
BRANCH  29  34
ATOM     33  C   LIG    1        7.894  -2.945  -1.245  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1        7.059  -2.704   0.002  0.00  0.00    +0.093 C 
ENDBRANCH  29  34
ENDBRANCH  23  30
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 7