REMARK  Name = BDB029263
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.472  -0.517  -0.944  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.416  -2.054  -0.946  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.900  -2.322  -0.237  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.754  -1.151  -0.716  0.00  0.00    +0.188 C 
ATOM      5  O   LIG    1       -0.857  -0.025  -0.634  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      6  N   LIG    1        5.434   1.037   2.062  0.00  0.00    -0.066 NA
ATOM      7  C   LIG    1        4.846   0.488   1.052  0.00  0.00    +0.182 A 
ATOM      8  C   LIG    1        3.399   0.474   0.965  0.00  0.00    +0.064 A 
ATOM      9  C   LIG    1        2.374   0.966   1.805  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        1.171   0.660   1.199  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.434   0.001   0.021  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        2.794  -0.123  -0.132  0.00  0.00    +0.148 A 
ATOM     13  N   LIG    1        3.389  -0.744  -1.194  0.00  0.00    -0.220 NA
ATOM     14  C   LIG    1        4.687  -0.706  -1.079  0.00  0.00    +0.200 A 
ATOM     15  N   LIG    1        5.389  -0.139  -0.044  0.00  0.00    -0.328 N 
ATOM     16  H   LIG    1        6.399  -0.161  -0.048  0.00  0.00    +0.168 HD
BRANCH   6  17
ATOM     17  O   LIG    1        6.830   0.922   1.920  0.00  0.00    -0.392 OA
BRANCH  17  19
ATOM     18  C   LIG    1        7.507   0.539   4.209  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        7.459   1.522   3.054  0.00  0.00    +0.259 C 
ENDBRANCH  17  19
ENDBRANCH   6  17
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1        0.334  -2.592  -2.280  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1        1.194  -2.401  -2.702  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -1.465  -3.583  -0.573  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -1.142  -3.775  -1.481  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -3.092  -0.968   0.065  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1       -2.879  -0.617   1.545  0.00  0.00    +0.049 C 
BRANCH  24  26
ATOM     26  C   LIG    1       -3.954   0.107  -0.619  0.00  0.00    -0.014 A 
ATOM     27  C   LIG    1       -5.132  -0.238  -1.311  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1       -5.857   0.766  -1.913  0.00  0.00    -0.044 A 
ATOM     29  C   LIG    1       -7.085   1.059  -2.723  0.00  0.00    +0.040 C 
ATOM     30  C   LIG    1       -6.640   2.558  -2.667  0.00  0.00    +0.040 C 
ATOM     31  C   LIG    1       -5.468   2.079  -1.862  0.00  0.00    -0.044 A 
ATOM     32  C   LIG    1       -4.329   2.473  -1.208  0.00  0.00    +0.004 A 
ATOM     33  C   LIG    1       -3.570   1.476  -0.585  0.00  0.00    +0.007 A 
ENDBRANCH  24  26
BRANCH  24  34
ATOM     34  O   LIG    1       -3.830  -2.207   0.059  0.00  0.00    -0.382 OA
ATOM     35  H   LIG    1       -3.194  -2.950   0.051  0.00  0.00    +0.211 HD
ENDBRANCH  24  34
ENDBRANCH   4  24
TORSDOF 8