REMARK  Name = BDB063847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.742  -2.480  -0.194  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        1.478  -2.048  -0.101  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1        0.329  -2.988  -0.023  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1        0.333  -4.202  -0.019  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -0.732  -2.145   0.038  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -1.678  -2.469   0.099  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -0.287  -0.870  -0.001  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        1.007  -0.753  -0.082  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  16
ATOM      9  C   LIG    1        8.233   2.817   0.434  0.00  0.00    +0.073 C 
ATOM     10  C   LIG    1        7.247   1.722   0.232  0.00  0.00    +0.076 A 
ATOM     11  S   LIG    1        5.707   1.806   0.985  0.00  0.00    -0.072 S 
ATOM     12  C   LIG    1        5.278   0.296   0.277  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        6.350  -0.166  -0.486  0.00  0.00    +0.079 A 
ATOM     14  C   LIG    1        6.219  -1.397  -1.156  0.00  0.00    +0.029 A 
ATOM     15  C   LIG    1        5.027  -2.126  -1.048  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        3.951  -1.647  -0.293  0.00  0.00    -0.022 A 
ATOM     17  C   LIG    1        4.078  -0.428   0.392  0.00  0.00    +0.025 A 
ATOM     18  N   LIG    1        7.465   0.655  -0.504  0.00  0.00    -0.244 NA
ENDBRANCH   1  16
BRANCH   7  19
ATOM     19  N   LIG    1       -1.097   0.216   0.039  0.00  0.00    -0.311 N 
ATOM     20  H   LIG    1       -0.572   1.079  -0.079  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -2.540   0.340  -0.065  0.00  0.00    +0.035 C 
ATOM     22  C   LIG    1       -3.073  -0.291  -1.369  0.00  0.00    +0.029 C 
ATOM     23  C   LIG    1       -4.597  -0.099  -1.472  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -5.273  -0.750  -0.252  0.00  0.00    +0.007 C 
ATOM     25  C   LIG    1       -4.773  -0.094   1.047  0.00  0.00    -0.008 C 
ATOM     26  C   LIG    1       -5.094   1.408   1.012  0.00  0.00    +0.007 C 
ATOM     27  C   LIG    1       -4.410   2.063  -0.197  0.00  0.00    -0.008 C 
ATOM     28  C   LIG    1       -4.920   1.404  -1.488  0.00  0.00    +0.007 C 
ATOM     29  C   LIG    1       -3.249  -0.285   1.157  0.00  0.00    +0.029 C 
ATOM     30  C   LIG    1       -2.890   1.854  -0.091  0.00  0.00    +0.029 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3