REMARK  Name = BDB048833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.792  -0.298  -0.957  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -1.698  -0.746  -1.790  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -0.443  -0.397  -1.155  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -0.820   0.277   0.018  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1        0.146   0.773   0.878  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        1.496   0.574   0.556  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.867  -0.116  -0.612  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.884  -0.609  -1.479  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.299   0.343   0.129  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -3.101   0.975   1.179  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -3.103   0.444   2.474  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -3.868   1.039   3.479  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.633   2.170   3.196  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -4.635   2.706   1.910  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.871   2.111   0.903  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1       -1.851  -1.727  -2.814  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1       -2.602  -2.899  -2.502  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1       -1.248  -1.552  -4.128  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1       -4.202  -0.489  -1.337  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -4.623  -0.254  -2.461  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -4.916  -0.960  -0.287  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -6.974  -1.639   0.709  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -6.298  -1.188  -0.572  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1        3.151  -0.368  -1.017  0.00  0.00    -0.492 OA
BRANCH  24  25
ATOM     25  C   LIG    1        4.204   0.089  -0.162  0.00  0.00    +0.235 C 
BRANCH  25  26
ATOM     26  C   LIG    1        5.533  -0.318  -0.795  0.00  0.00    +0.096 C 
BRANCH  26  27
ATOM     27  C   LIG    1        6.746   0.085   0.005  0.00  0.00    +0.044 A 
ATOM     28  N   LIG    1        6.567   0.826   1.125  0.00  0.00    -0.260 NA
ATOM     29  C   LIG    1        7.669   1.181   1.822  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.958   0.834   1.456  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        9.129   0.077   0.304  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        8.011  -0.303  -0.434  0.00  0.00    +0.023 A 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 9