REMARK  Name = BDB020976
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.295  -4.169   2.307  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1        2.100  -2.972   1.525  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1        1.520  -3.080   0.708  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1        3.123  -2.064   1.407  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1        2.837  -0.951   0.638  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1        1.529  -0.663   0.052  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1        1.320   0.796  -0.169  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1        2.272   1.747   0.138  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1        1.778   2.985  -0.201  0.00  0.00    +0.116 A 
ATOM     10  N   LIG    1        0.586   2.854  -0.753  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1        3.563   1.395   0.699  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1        0.278   1.516  -0.718  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1        3.925  -0.031   0.309  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1        4.206  -2.231   1.960  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1       -0.963   0.994  -1.261  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -1.710   0.021  -0.576  0.00  0.00    +0.022 A 
ATOM     17  C   LIG    1       -2.906  -0.476  -1.140  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1       -3.901  -1.435  -0.797  0.00  0.00    +0.103 A 
ATOM     19  N   LIG    1       -4.832  -1.560  -1.751  0.00  0.00    -0.170 NA
ATOM     20  N   LIG    1       -4.475  -0.648  -2.671  0.00  0.00    -0.266 N 
ATOM     21  C   LIG    1       -5.289  -0.477  -3.852  0.00  0.00    +0.173 C 
ATOM     22  C   LIG    1       -3.317   0.025  -2.376  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -2.606   1.014  -3.068  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1       -1.428   1.490  -2.484  0.00  0.00    +0.012 A 
BRANCH  18  25
ATOM     25  C   LIG    1       -3.943  -2.254   0.411  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1       -4.567  -3.470   0.580  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1       -4.343  -3.833   1.873  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1       -4.804  -5.031   2.531  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1       -3.611  -2.937   2.563  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1       -3.395  -1.961   1.673  0.00  0.00    +0.144 A 
ENDBRANCH  18  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1        2.450   4.312  -0.002  0.00  0.00    +0.083 C 
ATOM     32  C   LIG    1        2.992   4.536   1.403  0.00  0.00    +0.171 C 
ATOM     33  O   LIG    1        4.423   4.506   1.289  0.00  0.00    -0.379 OA
ATOM     34  C   LIG    1        4.729   5.038  -0.005  0.00  0.00    +0.160 C 
ATOM     35  C   LIG    1        3.641   4.524  -0.924  0.00  0.00    +0.041 C 
ENDBRANCH   9  31
TORSDOF 3