REMARK  Name = BDB006064
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.955  -0.687   1.083  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        5.780  -0.473   0.806  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        4.987   0.503   1.566  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        3.669   0.694   1.196  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        2.825   1.598   1.861  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1        1.471   1.800   1.496  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1        1.026   1.095   0.491  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1        1.812   0.203  -0.202  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1        1.359  -0.319  -0.946  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1        3.361   2.320   2.928  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1        4.697   2.140   3.314  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1        3.120  -0.073   0.072  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1        3.822  -0.939  -0.596  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1        5.514   1.230   2.634  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1        5.126  -1.122  -0.220  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1        5.659  -1.800  -0.756  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.421   1.274   0.034  0.00  0.00    +0.156 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -0.884   0.008  -0.568  0.00  0.00    -0.305 NA
ATOM     19  H   LIG    1       -0.951  -0.689   0.178  0.00  0.00    +0.123 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.210   0.163  -1.192  0.00  0.00    +0.071 C 
ATOM     21  C   LIG    1       -2.550  -1.079  -2.056  0.00  0.00    +0.010 C 
ATOM     22  C   LIG    1       -3.833  -0.746  -2.843  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -4.944  -0.340  -1.861  0.00  0.00    +0.085 C 
ATOM     24  N   LIG    1       -4.528  -0.524  -0.454  0.00  0.00    -0.301 NA
ATOM     25  C   LIG    1       -4.094  -1.927  -0.266  0.00  0.00    +0.085 C 
ATOM     26  C   LIG    1       -2.883  -2.276  -1.147  0.00  0.00    +0.020 C 
ATOM     27  C   LIG    1       -3.373   0.361  -0.171  0.00  0.00    +0.103 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 3