REMARK  Name = BDB048836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.982   1.170   0.165  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -1.846   1.946   0.621  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -0.626   1.208   0.363  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -1.064   0.010  -0.224  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.146  -0.951  -0.617  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.218  -0.701  -0.417  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.653   0.504   0.161  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.718   1.468   0.557  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.545  -0.007  -0.341  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -3.388  -1.104  -0.827  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -3.450  -2.305  -0.112  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -4.234  -3.366  -0.574  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.959  -3.245  -1.764  0.00  0.00    -0.050 A 
ATOM     14  C   LIG    1       -5.833  -4.367  -2.241  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -4.907  -2.039  -2.472  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -4.121  -0.979  -2.011  0.00  0.00    +0.009 A 
ENDBRANCH   9  10
BRANCH   2  17
ATOM     17  N   LIG    1       -1.928   3.309   1.036  0.00  0.00    -0.181 N 
ATOM     18  O   LIG    1       -2.789   4.178   0.302  0.00  0.00    -0.173 OA
ATOM     19  C   LIG    1       -1.180   3.808   2.184  0.00  0.00    +0.191 C 
ENDBRANCH   2  17
BRANCH   1  20
ATOM     20  C   LIG    1       -4.389   1.588   0.322  0.00  0.00    +0.339 C 
ATOM     21  O   LIG    1       -5.240   1.524  -0.549  0.00  0.00    -0.245 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -4.573   2.007   1.604  0.00  0.00    -0.462 OA
BRANCH  22  24
ATOM     23  C   LIG    1       -6.039   3.934   1.561  0.00  0.00    +0.048 C 
ATOM     24  C   LIG    1       -5.896   2.466   1.913  0.00  0.00    +0.229 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   7  25
ATOM     25  O   LIG    1        2.952   0.853   0.408  0.00  0.00    -0.492 OA
BRANCH  25  26
ATOM     26  C   LIG    1        3.999   0.060  -0.157  0.00  0.00    +0.229 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.433  -1.024   0.829  0.00  0.00    +0.046 C 
BRANCH  27  28
ATOM     28  C   LIG    1        5.482  -1.975   0.249  0.00  0.00    +0.038 C 
BRANCH  28  29
ATOM     29  C   LIG    1        6.792  -1.307  -0.083  0.00  0.00    -0.047 A 
ATOM     30  C   LIG    1        7.638  -0.852   0.939  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1        8.846  -0.225   0.631  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        9.222  -0.047  -0.698  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        8.391  -0.498  -1.722  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        7.182  -1.126  -1.417  0.00  0.00    +0.003 A 
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 10