REMARK  Name = BDB009063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.741   0.107   1.747  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.901  -0.917   1.288  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.189  -1.366   2.053  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.412  -0.794   3.309  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.418   0.225   3.773  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.486   0.678   2.993  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        3.778   1.447   1.130  0.00  0.00    +0.255 C 
ATOM      8  N   LIG    1        2.792   0.500   0.895  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        2.871  -0.011   0.027  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        3.920   2.061   2.182  0.00  0.00    -0.269 OA
BRANCH   7  13
ATOM     11  C   LIG    1        3.015   1.798  -1.979  0.00  0.00    +0.045 C 
ATOM     12  C   LIG    1        4.380   1.757  -1.369  0.00  0.00    -0.031 A 
ATOM     13  C   LIG    1        4.671   1.629  -0.014  0.00  0.00    +0.077 A 
ATOM     14  S   LIG    1        6.356   1.725   0.293  0.00  0.00    -0.092 S 
ATOM     15  C   LIG    1        6.720   1.872  -1.366  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        5.585   1.879  -2.142  0.00  0.00    +0.011 A 
ENDBRANCH   7  13
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1       -1.083  -2.473   1.545  0.00  0.00    +0.092 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.630  -2.212   0.144  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1       -2.728  -1.212  -0.051  0.00  0.00    -0.016 A 
ATOM     20  C   LIG    1       -3.346  -0.501   1.120  0.00  0.00    +0.037 C 
ATOM     21  C   LIG    1       -4.657   0.211   0.773  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.541   0.960  -0.549  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -4.188   0.004  -1.690  0.00  0.00    +0.041 C 
ATOM     24  C   LIG    1       -3.126  -0.992  -1.316  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -2.507  -1.748  -2.434  0.00  0.00    +0.268 A 
ATOM     26  O   LIG    1       -2.853  -1.581  -3.599  0.00  0.00    -0.266 OA
ATOM     27  N   LIG    1       -1.532  -2.642  -2.085  0.00  0.00    -0.243 N 
ATOM     28  H   LIG    1       -1.102  -3.174  -2.834  0.00  0.00    +0.192 HD
ATOM     29  N   LIG    1       -1.077  -2.878  -0.827  0.00  0.00    -0.175 NA
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 4