REMARK  Name = BDB009006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.871  -0.797   0.600  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -0.616  -1.204   0.143  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.295  -1.844   1.002  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.080  -2.096   2.327  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.336  -1.707   2.787  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -2.227  -1.061   1.928  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.657   0.326  -1.501  0.00  0.00    +0.238 C 
ATOM      8  N   LIG    1       -2.825  -0.136  -0.203  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -3.711   0.059   0.247  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -1.611   0.308  -2.144  0.00  0.00    -0.273 OA
BRANCH   7  15
ATOM     11  O   LIG    1       -5.011   1.192  -5.418  0.00  0.00    -0.276 OA
ATOM     12  C   LIG    1       -4.898   1.014  -4.220  0.00  0.00    +0.214 C 
ATOM     13  N   LIG    1       -3.786   1.306  -3.466  0.00  0.00    -0.304 N 
ATOM     14  H   LIG    1       -2.913   1.602  -3.890  0.00  0.00    +0.149 HD
ATOM     15  C   LIG    1       -3.936   0.966  -2.075  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -5.142   0.035  -2.079  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -5.956   0.480  -3.291  0.00  0.00    +0.098 C 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   3  18
ATOM     18  C   LIG    1        1.652  -2.274   0.494  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.807  -1.615   1.243  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        3.181  -0.198   0.936  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        2.475   0.578  -0.140  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        3.209   1.860  -0.545  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        3.706   2.617   0.680  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        4.657   1.751   1.509  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1        4.179   0.333   1.665  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.871  -0.486   2.691  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1        5.792  -0.037   3.365  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1        4.422  -1.771   2.834  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1        4.883  -2.348   3.529  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1        3.404  -2.344   2.140  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 4