REMARK  Name = BDB065288
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.171   1.455   0.488  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1       -1.444   0.178  -0.041  0.00  0.00    +0.231 A 
ATOM      3  N   LIG    1       -2.687  -0.264  -0.357  0.00  0.00    -0.177 NA
ATOM      4  C   LIG    1       -3.672   0.612  -0.138  0.00  0.00    +0.222 A 
ATOM      5  O   LIG    1       -4.977   0.269  -0.423  0.00  0.00    -0.470 OA
ATOM      6  C   LIG    1       -5.722   1.510  -0.267  0.00  0.00    +0.111 C 
ATOM      7  C   LIG    1       -4.846   2.525   0.507  0.00  0.00    +0.088 C 
ATOM      8  C   LIG    1       -6.075   2.022  -1.669  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1       -7.002   1.185   0.506  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -3.526   1.877   0.368  0.00  0.00    +0.019 A 
ATOM     11  C   LIG    1       -2.261   2.321   0.697  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  14
ATOM     12  N   LIG    1        1.252   1.124   0.661  0.00  0.00    -0.266 N 
ATOM     13  H   LIG    1        1.086   0.196   0.288  0.00  0.00    +0.157 HD
ATOM     14  C   LIG    1        0.189   1.970   0.851  0.00  0.00    +0.254 C 
ATOM     15  O   LIG    1        0.272   3.113   1.295  0.00  0.00    -0.270 OA
BRANCH  12  18
ATOM     16  C   LIG    1        4.719   0.382   0.805  0.00  0.00    +0.076 A 
ATOM     17  N   LIG    1        3.382   0.283   0.603  0.00  0.00    -0.232 NA
ATOM     18  C   LIG    1        2.607   1.344   0.912  0.00  0.00    +0.126 A 
ATOM     19  C   LIG    1        3.127   2.522   1.424  0.00  0.00    +0.044 A 
ATOM     20  C   LIG    1        4.501   2.613   1.628  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.313   1.529   1.315  0.00  0.00    +0.028 A 
BRANCH  16  26
ATOM     22  C   LIG    1        8.393  -2.888   0.010  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1        7.105  -2.243   0.098  0.00  0.00    -0.274 N 
ATOM     24  N   LIG    1        6.006  -2.910  -0.291  0.00  0.00    -0.179 NA
ATOM     25  C   LIG    1        5.020  -2.033  -0.078  0.00  0.00    +0.144 A 
ATOM     26  C   LIG    1        5.480  -0.803   0.447  0.00  0.00    +0.038 A 
ATOM     27  C   LIG    1        6.846  -0.979   0.548  0.00  0.00    +0.118 A 
ENDBRANCH  16  26
ENDBRANCH  12  18
ENDBRANCH   1  14
BRANCH   2  28
ATOM     28  O   LIG    1       -0.380  -0.685  -0.250  0.00  0.00    -0.472 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -0.575  -2.010  -0.801  0.00  0.00    +0.180 C 
ATOM     30  C   LIG    1       -1.308  -2.184  -2.140  0.00  0.00    +0.076 C 
ATOM     31  C   LIG    1       -2.290  -3.162  -1.467  0.00  0.00    +0.121 C 
ATOM     32  C   LIG    1       -1.550  -2.987  -0.127  0.00  0.00    +0.076 C 
BRANCH  31  33
ATOM     33  O   LIG    1       -3.677  -2.776  -1.480  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -3.682  -1.867  -1.111  0.00  0.00    +0.210 HD
ENDBRANCH  31  33
ENDBRANCH  28  29
ENDBRANCH   2  28
TORSDOF 6