REMARK  Name = BDB051209
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.078  -0.754  -1.579  0.00  0.00    +0.195 A 
ATOM      2  N   LIG    1        0.833  -2.030  -1.256  0.00  0.00    -0.221 NA
ATOM      3  C   LIG    1        1.566  -2.562  -0.278  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1        2.578  -1.857   0.388  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1        3.286  -2.497   1.441  0.00  0.00    +0.013 A 
ATOM      6  C   LIG    1        3.003  -3.814   1.800  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.011  -4.506   1.121  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        2.790  -0.538  -0.065  0.00  0.00    +0.136 A 
ATOM      9  C   LIG    1        1.305  -3.874   0.095  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.019   0.019  -1.021  0.00  0.00    -0.206 NA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        3.799   0.259   0.545  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        4.619  -0.289   0.784  0.00  0.00    +0.155 HD
BRANCH  11  13
ATOM     13  C   LIG    1        3.992   1.589   0.352  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        3.098   2.397  -0.300  0.00  0.00    -0.264 N 
ATOM     15  H   LIG    1        2.233   2.101  -0.742  0.00  0.00    +0.190 HD
ATOM     16  N   LIG    1        3.470   3.689  -0.357  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        4.655   3.705   0.267  0.00  0.00    +0.062 A 
ATOM     18  C   LIG    1        5.402   4.977   0.413  0.00  0.00    +0.067 C 
ATOM     19  C   LIG    1        5.025   2.417   0.724  0.00  0.00    +0.068 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
BRANCH   1  20
ATOM     20  S   LIG    1        0.090  -0.013  -2.855  0.00  0.00    -0.050 S 
BRANCH  20  24
ATOM     21  C   LIG    1       -4.041  -0.098  -0.812  0.00  0.00    +0.036 A 
ATOM     22  C   LIG    1       -3.616  -1.160  -1.625  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1       -2.358  -1.139  -2.240  0.00  0.00    +0.017 A 
ATOM     24  C   LIG    1       -1.505  -0.048  -2.065  0.00  0.00    +0.016 A 
ATOM     25  C   LIG    1       -1.933   1.031  -1.289  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -3.191   1.006  -0.673  0.00  0.00    +0.024 A 
BRANCH  21  29
ATOM     27  C   LIG    1       -4.545   0.710   2.023  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -5.658   0.393   1.050  0.00  0.00    +0.216 C 
ATOM     29  N   LIG    1       -5.334  -0.125  -0.205  0.00  0.00    -0.275 N 
ATOM     30  C   LIG    1       -6.416  -0.754  -0.959  0.00  0.00    +0.138 C 
ATOM     31  O   LIG    1       -6.826   0.541   1.424  0.00  0.00    -0.276 OA
ENDBRANCH  21  29
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5