REMARK  Name = BDB048816
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.398  -0.557   0.715  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -1.179  -1.210   1.144  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -0.068  -0.295   0.977  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -0.654   0.884   0.491  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        0.131   1.993   0.224  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.514   1.904   0.437  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        2.097   0.717   0.914  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        1.295  -0.399   1.183  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.121   0.713   0.339  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -3.106   1.696  -0.117  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -4.061   2.213   0.768  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -4.999   3.147   0.325  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.988   3.571  -1.003  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.041   3.062  -1.889  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.101   2.128  -1.448  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1       -1.058  -2.627   1.252  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1       -1.550  -3.418   0.172  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1       -0.433  -3.246   2.413  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1       -3.708  -1.226   0.770  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -4.081  -1.870   1.741  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -4.383  -1.033  -0.387  0.00  0.00    -0.459 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -5.506  -3.100  -0.948  0.00  0.00    +0.052 C 
ATOM     23  C   LIG    1       -5.673  -1.659  -0.480  0.00  0.00    +0.171 C 
ATOM     24  C   LIG    1       -6.489  -0.853  -1.483  0.00  0.00    +0.052 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  25
ATOM     25  O   LIG    1        3.429   0.509   1.145  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1        4.340   1.601   1.015  0.00  0.00    +0.244 C 
BRANCH  26  27
ATOM     27  C   LIG    1        4.863   1.785  -0.426  0.00  0.00    +0.125 C 
BRANCH  27  28
ATOM     28  N   LIG    1        5.734   0.752  -1.004  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1        5.093  -0.560  -1.201  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1        5.608  -1.641  -0.238  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1        7.026  -1.849  -0.324  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1        7.745  -0.681  -0.745  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1        7.043   0.626  -0.342  0.00  0.00    +0.112 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   7  25
TORSDOF 9