REMARK  Name = BDB020994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.198   0.473  -1.307  0.00  0.00    +0.011 A 
ATOM      2  C   LIG    1        1.138   0.374  -0.824  0.00  0.00    +0.011 A 
ATOM      3  C   LIG    1        2.051   1.408  -1.107  0.00  0.00    +0.074 A 
ATOM      4  N   LIG    1        3.326   1.398  -0.677  0.00  0.00    -0.231 NA
ATOM      5  C   LIG    1        3.790   0.363   0.063  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1        2.962  -0.715   0.380  0.00  0.00    +0.092 A 
ATOM      7  C   LIG    1        1.626   2.493  -1.860  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1        0.324   2.590  -2.349  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        1.636  -0.701  -0.061  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -0.587   1.579  -2.074  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  22
ATOM     11  C   LIG    1       -5.638   3.761   1.591  0.00  0.00    +0.129 C 
ATOM     12  N   LIG    1       -4.857   2.674   1.050  0.00  0.00    -0.302 N 
ATOM     13  H   LIG    1       -4.681   2.731   0.059  0.00  0.00    +0.150 HD
ATOM     14  C   LIG    1       -5.092   1.396   1.495  0.00  0.00    +0.302 C 
ATOM     15  N   LIG    1       -4.296   0.420   0.903  0.00  0.00    -0.278 N 
ATOM     16  C   LIG    1       -2.964   0.749   0.382  0.00  0.00    +0.164 C 
ATOM     17  C   LIG    1       -2.351  -0.407  -0.323  0.00  0.00    +0.064 A 
ATOM     18  N   LIG    1       -2.909  -1.661  -0.324  0.00  0.00    -0.328 N 
ATOM     19  C   LIG    1       -2.090  -2.501  -1.020  0.00  0.00    +0.114 A 
ATOM     20  N   LIG    1       -1.024  -1.863  -1.452  0.00  0.00    -0.232 NA
ATOM     21  C   LIG    1       -4.165  -1.979   0.315  0.00  0.00    +0.142 C 
ATOM     22  C   LIG    1       -1.179  -0.562  -1.039  0.00  0.00    +0.094 A 
ATOM     23  C   LIG    1       -4.480  -0.950   1.393  0.00  0.00    +0.131 C 
ATOM     24  O   LIG    1       -5.940   1.143   2.346  0.00  0.00    -0.253 OA
BRANCH  19  25
ATOM     25  C   LIG    1       -2.337  -4.013  -1.275  0.00  0.00    +0.055 C 
ATOM     26  C   LIG    1       -2.021  -4.579  -2.635  0.00  0.00    +0.012 C 
ATOM     27  C   LIG    1       -3.450  -4.428  -2.202  0.00  0.00    +0.012 C 
ENDBRANCH  19  25
ENDBRANCH   1  22
BRANCH   5  28
ATOM     28  N   LIG    1        5.133   0.395   0.496  0.00  0.00    -0.310 N 
ATOM     29  C   LIG    1        6.000   1.227  -0.372  0.00  0.00    +0.134 C 
ATOM     30  C   LIG    1        7.448   1.151   0.138  0.00  0.00    +0.178 C 
ATOM     31  O   LIG    1        7.543   1.599   1.502  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1        6.710   0.789   2.349  0.00  0.00    +0.178 C 
ATOM     33  C   LIG    1        5.237   0.840   1.908  0.00  0.00    +0.134 C 
ENDBRANCH   5  28
BRANCH   6  34
ATOM     34  C   LIG    1        3.436  -1.843   1.123  0.00  0.00    +0.103 C 
ATOM     35  N   LIG    1        3.783  -2.757   1.750  0.00  0.00    -0.191 NA
ENDBRANCH   6  34
TORSDOF 4