REMARK  Name = BDB046275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.830  -0.090  -2.561  0.00  0.00    -0.274 OA
ATOM      2  C   LIG    1       -0.427  -0.509  -1.480  0.00  0.00    +0.231 C 
ATOM      3  N   LIG    1       -1.169  -0.630  -0.318  0.00  0.00    -0.283 N 
ATOM      4  H   LIG    1       -0.621  -0.968   0.472  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.518  -0.297  -0.106  0.00  0.00    +0.054 A 
ATOM      6  C   LIG    1       -3.365   0.202  -1.091  0.00  0.00    +0.052 A 
ATOM      7  C   LIG    1       -4.690   0.493  -0.767  0.00  0.00    +0.070 A 
ATOM      8  N   LIG    1       -5.558   1.001  -1.743  0.00  0.00    -0.320 N 
ATOM      9  H   LIG    1       -5.227   1.165  -2.686  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -6.878   1.310  -1.502  0.00  0.00    +0.257 A 
ATOM     11  C   LIG    1       -7.398   1.083  -0.125  0.00  0.00    +0.049 A 
ATOM     12  C   LIG    1       -6.544   0.570   0.870  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -7.078   0.360   2.154  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -8.416   0.653   2.434  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -9.245   1.165   1.437  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -8.738   1.382   0.157  0.00  0.00    +0.014 A 
ATOM     17  O   LIG    1       -7.597   1.750  -2.393  0.00  0.00    -0.267 OA
ATOM     18  C   LIG    1       -5.147   0.273   0.535  0.00  0.00    +0.095 A 
ATOM     19  N   LIG    1       -4.341  -0.211   1.512  0.00  0.00    -0.251 NA
ATOM     20  C   LIG    1       -3.058  -0.479   1.168  0.00  0.00    +0.134 A 
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1        1.008  -1.036  -1.314  0.00  0.00    +0.180 C 
BRANCH  21  22
ATOM     22  N   LIG    1        1.456  -0.943   0.103  0.00  0.00    -0.294 NA
ATOM     23  C   LIG    1        2.571  -1.860   0.365  0.00  0.00    +0.086 C 
ATOM     24  C   LIG    1        3.879  -1.494  -0.345  0.00  0.00    +0.034 C 
ATOM     25  C   LIG    1        4.151   0.026  -0.343  0.00  0.00    +0.059 C 
ATOM     26  C   LIG    1        3.294   0.720   0.723  0.00  0.00    +0.034 C 
ATOM     27  C   LIG    1        1.802   0.450   0.472  0.00  0.00    +0.086 C 
BRANCH  25  28
ATOM     28  N   LIG    1        5.561   0.425  -0.268  0.00  0.00    -0.299 NA
ATOM     29  C   LIG    1        6.257   0.155   0.989  0.00  0.00    +0.085 C 
ATOM     30  C   LIG    1        7.736   0.279   0.633  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        7.788   0.329  -0.889  0.00  0.00    +0.017 C 
ATOM     32  C   LIG    1        6.406  -0.114  -1.330  0.00  0.00    +0.085 C 
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 4