REMARK  Name = BDB028097
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.007  -1.939  -1.826  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -0.130  -0.853  -2.704  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.028  -0.198  -3.082  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        1.183   0.965  -3.961  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        2.541   1.224  -4.048  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        3.331   0.336  -3.201  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        0.268   1.585  -4.467  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.291  -0.565  -2.622  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        2.430  -1.627  -1.749  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        1.274  -2.310  -1.351  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        3.067   2.430  -4.680  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        4.474   2.286  -5.282  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.005   1.213  -5.559  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        5.134   3.465  -5.546  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        6.061   3.366  -5.940  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        4.832   4.713  -5.063  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        5.621   5.645  -5.183  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        3.477   4.877  -4.420  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        3.050   3.607  -3.703  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -1.233  -2.680  -1.352  0.00  0.00    +0.141 C 
BRANCH  20  24
ATOM     21  N   LIG    1       -1.899  -1.858   2.120  0.00  0.00    -0.269 N 
ATOM     22  H   LIG    1       -2.684  -1.313   1.819  0.00  0.00    +0.156 HD
ATOM     23  C   LIG    1       -1.339  -2.601   1.102  0.00  0.00    +0.304 C 
ATOM     24  N   LIG    1       -1.744  -2.108  -0.125  0.00  0.00    -0.295 N 
ATOM     25  H   LIG    1       -1.931  -1.118  -0.153  0.00  0.00    +0.151 HD
ATOM     26  O   LIG    1       -0.607  -3.575   1.210  0.00  0.00    -0.252 OA
BRANCH  21  28
ATOM     27  C   LIG    1       -2.499  -1.259   4.445  0.00  0.00    -0.021 A 
ATOM     28  C   LIG    1       -1.663  -1.942   3.512  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1       -0.561  -2.683   3.980  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -0.268  -2.788   5.337  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -1.072  -2.144   6.257  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.163  -1.393   5.816  0.00  0.00    +0.006 A 
BRANCH  27  34
ATOM     33  C   LIG    1       -3.322   0.816   3.201  0.00  0.00    +0.015 C 
ATOM     34  C   LIG    1       -3.738  -0.399   4.063  0.00  0.00    -0.011 C 
ATOM     35  C   LIG    1       -4.808  -1.257   3.347  0.00  0.00    +0.015 C 
ATOM     36  C   LIG    1       -4.478   0.218   5.287  0.00  0.00    +0.015 C 
ENDBRANCH  27  34
ENDBRANCH  21  28
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 5