REMARK  Name = BDB036250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.379  -1.033  -1.156  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.809   0.217  -0.790  0.00  0.00    +0.150 A 
ATOM      3  N   LIG    1       -0.577   0.180  -0.169  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.188   1.482   0.026  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1       -1.227   2.258  -0.445  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        0.089  -1.025   0.124  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.434  -2.167  -0.235  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.231   1.457  -0.945  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -1.659  -2.139  -0.870  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1       -2.764  -0.312  -4.044  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -3.869  -0.870  -3.193  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -3.675  -1.194  -1.843  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1       -4.770  -1.702  -1.130  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -5.996  -1.871  -1.763  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -6.092  -1.530  -3.099  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1       -5.064  -1.040  -3.823  0.00  0.00    -0.260 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  N   LIG    1        1.308  -1.027   0.769  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.676  -1.976   0.704  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.380  -0.613   2.167  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.783  -0.775   2.681  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.874  -0.113   2.124  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        3.951   0.781   0.943  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.365   1.329   1.135  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.121   0.409   1.955  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.157  -0.296   2.626  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        5.419  -1.131   3.694  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        4.341  -1.791   4.281  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        3.045  -1.607   3.779  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        2.036  -2.261   4.372  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
BRANCH   5  30
ATOM     30  C   LIG    1       -1.338   3.743  -0.508  0.00  0.00    +0.135 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -0.759   4.195  -1.771  0.00  0.00    -0.325 NA
ATOM     32  H   LIG    1       -1.004   5.173  -1.907  0.00  0.00    +0.119 HD
ATOM     33  H   LIG    1       -1.232   3.685  -2.519  0.00  0.00    +0.119 HD
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 6