REMARK  Name = BDB029666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        6.082   0.112   0.650  0.00  0.00    +0.129 A 
ATOM      2  N   LIG    1        5.795  -0.748  -0.350  0.00  0.00    -0.207 NA
ATOM      3  C   LIG    1        4.487  -0.950  -0.615  0.00  0.00    +0.237 A 
ATOM      4  O   LIG    1        4.278  -1.843  -1.641  0.00  0.00    -0.473 OA
ATOM      5  C   LIG    1        2.991  -1.670  -2.242  0.00  0.00    +0.254 C 
ATOM      6  C   LIG    1        1.885  -1.720  -1.180  0.00  0.00    +0.125 C 
ATOM      7  N   LIG    1        2.070  -0.619  -0.198  0.00  0.00    -0.317 N 
ATOM      8  C   LIG    1        1.105   0.495  -0.275  0.00  0.00    +0.121 C 
ATOM      9  C   LIG    1        0.669   0.779  -1.733  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1        0.177  -0.390  -2.481  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        0.473  -1.667  -1.815  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        3.416  -0.337   0.077  0.00  0.00    +0.093 A 
ATOM     13  C   LIG    1        3.777   0.530   1.115  0.00  0.00    +0.031 A 
ATOM     14  C   LIG    1        5.119   0.766   1.407  0.00  0.00    +0.035 A 
ENDROOT
BRANCH   1  18
ATOM     15  C   LIG    1        9.278   0.237   2.657  0.00  0.00    +0.128 C 
ATOM     16  N   LIG    1        7.888   0.199   2.277  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1        7.245  -0.287   2.889  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1        7.531   0.334   0.944  0.00  0.00    +0.262 C 
ATOM     19  O   LIG    1        8.327   0.611   0.054  0.00  0.00    -0.269 OA
ENDBRANCH   1  18
BRANCH  10  20
ATOM     20  C   LIG    1       -1.175  -0.271  -3.030  0.00  0.00    +0.121 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.310  -0.282  -2.037  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1       -2.795   0.894  -1.452  0.00  0.00    +0.034 A 
ATOM     23  C   LIG    1       -3.841   0.817  -0.540  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1       -4.381  -0.428  -0.240  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1       -5.476  -0.509   0.718  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -5.998   0.583   1.314  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -5.376   1.927   0.988  0.00  0.00    +0.253 A 
ATOM     28  O   LIG    1       -5.767   2.962   1.521  0.00  0.00    -0.268 OA
ATOM     29  N   LIG    1       -3.951  -1.581  -0.790  0.00  0.00    -0.253 NA
ATOM     30  N   LIG    1       -4.351   1.960   0.078  0.00  0.00    -0.321 N 
ATOM     31  H   LIG    1       -3.969   2.875  -0.119  0.00  0.00    +0.169 HD
ATOM     32  C   LIG    1       -2.932  -1.479  -1.676  0.00  0.00    +0.116 A 
BRANCH  26  33
ATOM     33  C   LIG    1       -7.103   0.511   2.297  0.00  0.00    +0.024 C 
ATOM     34  C   LIG    1       -8.421   1.165   1.962  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1       -8.325  -0.330   2.018  0.00  0.00    +0.009 C 
ENDBRANCH  26  33
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 4