REMARK  Name = BDB029665
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.322   0.482  -1.134  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1       -4.635  -0.511  -0.513  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1       -3.310  -0.305  -0.353  0.00  0.00    +0.237 A 
ATOM      4  O   LIG    1       -2.674  -1.348   0.281  0.00  0.00    -0.473 OA
ATOM      5  C   LIG    1       -1.306  -1.410  -0.116  0.00  0.00    +0.254 C 
ATOM      6  C   LIG    1       -0.570  -0.098   0.166  0.00  0.00    +0.125 C 
ATOM      7  N   LIG    1       -1.231   1.045  -0.524  0.00  0.00    -0.317 N 
ATOM      8  C   LIG    1       -0.869   2.383   0.013  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1        0.438   2.331   0.841  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        0.350   1.407   1.986  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -0.438   0.195   1.685  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1       -2.615   0.862  -0.742  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1       -3.377   1.838  -1.397  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1       -4.744   1.655  -1.596  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1       -8.591  -1.407  -0.976  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1       -7.246  -0.940  -0.788  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -6.530  -1.560  -0.414  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -6.791   0.248  -1.322  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1       -7.499   1.056  -1.911  0.00  0.00    -0.269 OA
ENDBRANCH   1  18
BRANCH  10  20
ATOM     20  C   LIG    1        1.611   1.185   2.697  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1        2.674   0.409   1.960  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1        3.607   1.045   1.130  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1        4.556   0.279   0.464  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1        4.554  -1.101   0.648  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1        5.547  -1.908  -0.053  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1        6.452  -1.334  -0.865  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        6.453   0.152  -1.060  0.00  0.00    +0.252 A 
ATOM     28  O   LIG    1        7.264   0.707  -1.793  0.00  0.00    -0.268 OA
ATOM     29  C   LIG    1        7.495  -2.104  -1.611  0.00  0.00    +0.049 C 
ATOM     30  N   LIG    1        3.682  -1.749   1.447  0.00  0.00    -0.253 NA
ATOM     31  N   LIG    1        5.501   0.870  -0.382  0.00  0.00    -0.321 N 
ATOM     32  H   LIG    1        5.518   1.870  -0.525  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1        2.773  -0.978   2.089  0.00  0.00    +0.116 A 
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 3