REMARK  Name = BDB036411
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.399   2.852  -1.991  0.00  0.00    -0.025 A 
ATOM      2  C   LIG    1       -1.371   2.374  -1.115  0.00  0.00    -0.013 A 
ATOM      3  C   LIG    1       -1.767   0.967  -0.800  0.00  0.00    +0.145 C 
ATOM      4  N   LIG    1       -2.724   1.139   0.288  0.00  0.00    -0.282 N 
ATOM      5  C   LIG    1       -3.051   2.471   0.484  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1       -3.888   2.936   1.231  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -2.160   3.257  -0.377  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -2.040   4.629  -0.475  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -1.079   5.125  -1.355  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.268   4.248  -2.103  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -3.438   0.028   0.925  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1       -2.962  -1.343   0.423  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -3.268  -1.793  -0.680  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -2.017  -1.983   1.193  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -1.614  -2.811   0.773  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -1.309  -1.442   2.235  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -0.235  -1.925   2.588  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -1.869  -0.189   2.866  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -3.314   0.051   2.452  0.00  0.00    +0.041 C 
ENDBRANCH   4  11
BRANCH   1  20
ATOM     20  C   LIG    1        0.465   1.925  -2.802  0.00  0.00    +0.140 C 
BRANCH  20  22
ATOM     21  C   LIG    1        1.703  -0.161  -2.448  0.00  0.00    +0.244 C 
ATOM     22  N   LIG    1        1.192   1.016  -1.945  0.00  0.00    -0.307 N 
ATOM     23  H   LIG    1        1.605   1.397  -1.104  0.00  0.00    +0.149 HD
ATOM     24  O   LIG    1        1.567  -0.508  -3.614  0.00  0.00    -0.270 OA
BRANCH  21  28
ATOM     25  C   LIG    1        3.828  -2.733   0.261  0.00  0.00    +0.120 A 
ATOM     26  C   LIG    1        2.859  -1.860   0.755  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        2.171  -1.004  -0.115  0.00  0.00    +0.016 A 
ATOM     28  C   LIG    1        2.450  -1.018  -1.487  0.00  0.00    +0.037 A 
ATOM     29  C   LIG    1        3.413  -1.901  -1.983  0.00  0.00    +0.016 A 
ATOM     30  C   LIG    1        4.102  -2.746  -1.109  0.00  0.00    +0.046 A 
BRANCH  25  32
ATOM     31  C   LIG    1        4.253  -3.709   2.385  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1        4.563  -3.618   1.000  0.00  0.00    -0.495 OA
ENDBRANCH  25  32
ENDBRANCH  21  28
ENDBRANCH  20  22
ENDBRANCH   1  20
TORSDOF 5