REMARK  Name = BDB037029
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.645   1.445   1.924  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.510   0.394   1.643  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        3.384   0.167   0.488  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        3.987  -1.047   0.674  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        3.630  -1.601   1.872  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        4.001  -2.647   2.371  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        3.517   0.950  -0.435  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        2.665  -0.694   2.486  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        1.984  -0.804   3.680  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        1.127   0.244   4.015  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1        0.970   1.354   3.154  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        5.035  -1.599  -0.171  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        6.339  -0.834   0.075  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        6.586  -0.216   1.109  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        7.286  -0.933  -0.920  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        8.155  -0.444  -0.752  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        7.156  -1.524  -2.152  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        8.081  -1.513  -2.960  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        5.853  -2.239  -2.428  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        4.701  -1.607  -1.660  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        1.558   2.561   1.088  0.00  0.00    -0.338 N 
ATOM     22  H   LIG    1        2.015   2.381   0.185  0.00  0.00    +0.146 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.253   3.196   0.873  0.00  0.00    +0.160 C 
BRANCH  23  27
ATOM     24  N   LIG    1       -2.424   1.099  -0.401  0.00  0.00    -0.251 N 
ATOM     25  N   LIG    1       -1.817   1.489  -1.532  0.00  0.00    -0.065 NA
ATOM     26  N   LIG    1       -0.808   2.278  -1.190  0.00  0.00    -0.133 NA
ATOM     27  C   LIG    1       -0.789   2.382   0.178  0.00  0.00    +0.100 A 
ATOM     28  C   LIG    1       -1.824   1.632   0.698  0.00  0.00    +0.135 A 
BRANCH  24  29
ATOM     29  C   LIG    1       -3.564   0.213  -0.456  0.00  0.00    +0.150 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -4.800   0.906  -1.025  0.00  0.00    +0.064 C 
BRANCH  30  33
ATOM     31  C   LIG    1       -5.693  -1.198  -3.358  0.00  0.00    +0.069 C 
ATOM     32  C   LIG    1       -6.366  -0.917  -2.067  0.00  0.00    +0.084 A 
ATOM     33  C   LIG    1       -5.984   0.003  -1.050  0.00  0.00    +0.019 A 
ATOM     34  C   LIG    1       -6.970  -0.139  -0.097  0.00  0.00    +0.138 A 
ATOM     35  C   LIG    1       -7.244   0.494   1.207  0.00  0.00    +0.089 C 
ATOM     36  O   LIG    1       -7.865  -1.074  -0.507  0.00  0.00    -0.359 OA
ATOM     37  N   LIG    1       -7.486  -1.569  -1.738  0.00  0.00    -0.083 NA
ENDBRANCH  30  33
ENDBRANCH  29  30
ENDBRANCH  24  29
ENDBRANCH  23  27
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7