REMARK  Name = BDB031531
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.645   0.617  -0.219  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -0.353  -0.761  -0.710  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -1.152  -1.823   0.025  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1        1.114  -0.565  -0.219  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1        0.794   0.944  -0.372  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1       -1.438   1.377  -1.194  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1       -7.726   0.209   0.045  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -7.091   0.740   1.297  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1       -7.731   0.903   2.330  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1       -5.754   1.038   1.239  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1       -5.339   1.389   2.092  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1       -4.985   0.890   0.080  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1       -5.574   0.415  -1.089  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1       -4.907   0.245  -2.250  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1       -3.591   0.562  -2.236  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1       -2.906   1.042  -1.119  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1       -3.634   1.211   0.066  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1       -6.992   0.075  -1.074  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1       -9.462  -1.441   0.813  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1       -9.193  -0.121   0.103  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   4  21
ATOM     21  O   LIG    1        2.129  -1.121  -1.085  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.443  -0.834  -0.831  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1        3.945  -0.242   0.322  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1        5.259   0.023   0.530  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1        6.113  -0.334  -0.472  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.706  -0.937  -1.654  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.347  -1.190  -1.828  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1        7.565  -0.048  -0.239  0.00  0.00    +0.263 C 
ATOM     29  N   LIG    1        7.832   0.524   0.990  0.00  0.00    -0.307 N 
ATOM     30  H   LIG    1        7.027   0.682   1.592  0.00  0.00    +0.149 HD
ATOM     31  O   LIG    1        8.412  -0.313  -1.085  0.00  0.00    -0.269 OA
BRANCH  29  32
ATOM     32  C   LIG    1        9.140   0.877   1.425  0.00  0.00    +0.073 C 
ATOM     33  C   LIG    1        9.535   2.323   1.555  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1        9.358   1.482   2.785  0.00  0.00    +0.024 C 
ENDBRANCH  29  32
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 7