REMARK  Name = BDB021618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.672   0.534  -0.429  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -4.792  -0.524  -0.672  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -3.409  -0.312  -0.852  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1       -2.760  -1.495  -1.063  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -1.344  -1.499  -1.159  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -0.869  -0.601  -2.288  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -0.599   0.738  -1.791  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -1.480   1.424  -0.962  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -1.104   2.430  -0.354  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -2.899   0.991  -0.799  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -3.798   2.051  -0.549  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -5.165   1.830  -0.370  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  14
ATOM     13  O   LIG    1       -7.897   1.282  -0.158  0.00  0.00    -0.292 OA
ATOM     14  C   LIG    1       -7.133   0.327  -0.234  0.00  0.00    +0.166 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -7.670  -1.059  -0.159  0.00  0.00    +0.060 C 
ATOM     16  C   LIG    1       -7.422  -1.917   1.061  0.00  0.00    +0.012 C 
ATOM     17  C   LIG    1       -8.794  -1.372   0.805  0.00  0.00    +0.012 C 
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   7  18
ATOM     18  C   LIG    1        0.768   1.258  -1.934  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.724   0.747  -0.831  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.211   1.057   0.472  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1        0.567   1.791   0.379  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1        3.123   1.387  -1.016  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.271   0.792  -0.310  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        4.130   0.830   1.156  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1        5.329   0.241   1.875  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        6.182  -0.669   1.224  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1        7.262  -1.231   1.919  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        7.478  -0.913   3.260  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.622  -0.029   3.913  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.973  -0.986  -0.236  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1        5.551   0.544   3.226  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1        4.582  -0.574  -0.742  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   7  18
TORSDOF 7