REMARK  Name = BDB018161
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.193  -1.262  -0.779  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1       -1.651  -0.068  -1.580  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1       -0.549   0.502  -0.677  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -1.121   1.523   0.308  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1        0.000  -0.805  -0.076  0.00  0.00    +0.188 C 
ATOM      6  O   LIG    1       -1.160  -1.644   0.163  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1       -8.060  -0.010   0.784  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -6.898  -0.244  -0.130  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -5.598  -0.543   0.305  0.00  0.00    +0.040 A 
ATOM     10  C   LIG    1       -4.954  -0.739   1.556  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1       -3.629  -1.025   1.304  0.00  0.00    +0.091 A 
ATOM     12  N   LIG    1       -3.434  -0.993  -0.058  0.00  0.00    -0.303 N 
ATOM     13  C   LIG    1       -4.630  -0.712  -0.677  0.00  0.00    +0.146 A 
ATOM     14  N   LIG    1       -4.812  -0.610  -2.004  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -6.085  -0.319  -2.312  0.00  0.00    +0.223 A 
ATOM     16  N   LIG    1       -7.119  -0.126  -1.469  0.00  0.00    -0.240 NA
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  O   LIG    1       -1.051  -0.536  -2.810  0.00  0.00    -0.384 OA
ATOM     18  H   LIG    1       -0.248   0.011  -2.939  0.00  0.00    +0.210 HD
ENDBRANCH   2  17
BRANCH   3  19
ATOM     19  O   LIG    1        0.429   1.155  -1.504  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1        0.124   2.064  -1.678  0.00  0.00    +0.210 HD
ENDBRANCH   3  19
BRANCH   5  21
ATOM     21  C   LIG    1        0.874  -0.764   1.197  0.00  0.00    +0.176 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.302  -0.323   0.944  0.00  0.00    -0.017 A 
ATOM     23  C   LIG    1        2.684   1.022   1.008  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1        4.005   1.405   0.757  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.980   0.452   0.434  0.00  0.00    -0.045 A 
ATOM     26  C   LIG    1        4.597  -0.895   0.365  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.276  -1.276   0.615  0.00  0.00    +0.006 A 
BRANCH  25  28
ATOM     28  C   LIG    1        6.407   0.892   0.162  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1        6.823   0.587  -1.279  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1        7.390   0.271   1.157  0.00  0.00    +0.012 C 
ENDBRANCH  25  28
ENDBRANCH  21  22
BRANCH  21  31
ATOM     31  O   LIG    1        0.287   0.003   2.251  0.00  0.00    -0.384 OA
ATOM     32  H   LIG    1        0.947   0.031   2.967  0.00  0.00    +0.210 HD
ENDBRANCH  21  31
ENDBRANCH   5  21
TORSDOF 7