REMARK  Name = BDB048820
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.820  -0.896   0.476  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1        0.527  -0.399   0.271  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1        0.466   0.853  -0.455  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -0.906   1.107  -0.603  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -1.335   2.258  -1.243  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -0.372   3.146  -1.744  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.002   2.877  -1.603  0.00  0.00    +0.120 A 
ATOM      8  C   LIG    1        1.426   1.715  -0.950  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -1.706   0.007  -0.008  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -3.165  -0.111   0.051  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -3.900  -0.315  -1.123  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.291  -0.425  -1.073  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -5.955  -0.329   0.149  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.231  -0.124   1.322  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.839  -0.014   1.275  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   1  16
ATOM     16  C   LIG    1       -1.074  -2.187   1.142  0.00  0.00    +0.339 C 
ATOM     17  O   LIG    1       -0.382  -2.594   2.066  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -2.105  -2.840   0.560  0.00  0.00    -0.462 OA
BRANCH  18  20
ATOM     19  C   LIG    1       -1.570  -5.195   0.430  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1       -2.417  -4.130   1.101  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   2  21
ATOM     21  N   LIG    1        1.669  -1.255   0.298  0.00  0.00    -0.174 N 
ATOM     22  O   LIG    1        1.863  -2.129  -0.818  0.00  0.00    -0.172 OA
BRANCH  21  23
ATOM     23  C   LIG    1        2.560  -1.285   1.465  0.00  0.00    +0.196 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.648  -0.249   1.376  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1        4.684  -0.391   0.441  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.677   0.582   0.333  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.646   1.705   1.158  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.622   1.856   2.091  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.627   0.884   2.201  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   2  21
BRANCH   7  30
ATOM     30  O   LIG    1        2.019   3.674  -2.054  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1        1.654   4.849  -2.766  0.00  0.00    +0.277 C 
ENDBRANCH   7  30
TORSDOF 8