REMARK  Name = BDB048811
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.779  -0.460  -0.527  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -1.567  -1.123  -0.969  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -0.440  -0.590  -0.223  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -1.004   0.362   0.641  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.200   1.078   1.511  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.174   0.816   1.506  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.739  -0.143   0.642  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.920  -0.858  -0.234  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.470   0.447   0.432  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -3.418   1.351   1.090  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -4.023   2.393   0.374  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.929   3.246   1.006  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.235   3.066   2.354  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.633   2.035   3.074  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.726   1.180   2.444  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1       -1.473  -2.196  -1.913  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1       -0.305  -2.253  -2.738  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1       -2.450  -3.280  -1.973  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1       -4.113  -0.702  -1.101  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -4.316  -0.826  -2.299  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -5.031  -0.842  -0.117  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -7.288  -1.051   0.629  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -6.371  -1.048  -0.578  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1        3.096  -0.266   0.760  0.00  0.00    -0.492 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.787  -1.183  -0.089  0.00  0.00    +0.229 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.105  -0.576  -1.458  0.00  0.00    +0.046 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.861   0.756  -1.386  0.00  0.00    +0.038 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.258   0.624  -0.832  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1        7.293   0.111  -1.626  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        8.582  -0.022  -1.107  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        8.848   0.354   0.208  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        7.826   0.863   1.006  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.536   0.998   0.489  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 10