REMARK  Name = BDB043866
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.356   0.325  -2.005  0.00  0.00    -0.278 N 
ATOM      2  H   LIG    1        0.197   0.807  -2.709  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.365  -0.165  -0.932  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -0.091  -0.780   0.027  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.803   0.137  -1.064  0.00  0.00    +0.155 A 
ATOM      6  C   LIG    1        2.849  -0.202  -0.156  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        4.007   0.302  -0.733  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1        5.274   0.175  -0.147  0.00  0.00    +0.036 A 
ATOM      9  C   LIG    1        5.363  -0.496   1.085  0.00  0.00    -0.013 A 
ATOM     10  C   LIG    1        4.204  -1.008   1.683  0.00  0.00    +0.009 A 
ATOM     11  N   LIG    1        3.603   0.893  -1.898  0.00  0.00    -0.276 N 
ATOM     12  H   LIG    1        4.186   1.369  -2.577  0.00  0.00    +0.189 HD
ATOM     13  C   LIG    1        2.945  -0.872   1.077  0.00  0.00    +0.013 A 
ATOM     14  N   LIG    1        2.281   0.811  -2.135  0.00  0.00    -0.168 NA
BRANCH   9  15
ATOM     15  C   LIG    1        6.647  -0.653   1.750  0.00  0.00    +0.019 A 
ATOM     16  C   LIG    1        7.864  -0.786   1.115  0.00  0.00    +0.113 A 
ATOM     17  N   LIG    1        8.799  -0.928   2.100  0.00  0.00    -0.284 N 
ATOM     18  H   LIG    1        9.801  -1.055   2.002  0.00  0.00    +0.188 HD
ATOM     19  N   LIG    1        8.282  -0.895   3.337  0.00  0.00    -0.182 NA
ATOM     20  C   LIG    1        6.973  -0.733   3.124  0.00  0.00    +0.142 A 
ENDBRANCH   9  15
ENDBRANCH   3   5
BRANCH   1  24
ATOM     21  N   LIG    1       -3.860  -0.209  -1.991  0.00  0.00    -0.265 N 
ATOM     22  N   LIG    1       -3.773   0.441  -3.172  0.00  0.00    -0.177 NA
ATOM     23  C   LIG    1       -2.468   0.708  -3.281  0.00  0.00    +0.157 A 
ATOM     24  C   LIG    1       -1.717   0.218  -2.190  0.00  0.00    +0.072 A 
ATOM     25  C   LIG    1       -2.650  -0.378  -1.377  0.00  0.00    +0.132 A 
BRANCH  21  26
ATOM     26  C   LIG    1       -5.147  -0.692  -1.513  0.00  0.00    +0.178 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -6.326   0.832   1.789  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -5.765  -0.056   0.862  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -5.756   0.256  -0.507  0.00  0.00    -0.025 A 
ATOM     30  C   LIG    1       -6.313   1.474  -0.929  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -6.871   2.359  -0.006  0.00  0.00    +0.002 A 
ATOM     32  C   LIG    1       -6.880   2.038   1.351  0.00  0.00    +0.019 A 
BRANCH  27  34
ATOM     33  N   LIG    1       -6.345   0.232   4.313  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1       -6.334   0.503   3.185  0.00  0.00    +0.099 C 
ENDBRANCH  27  34
ENDBRANCH  26  29
ENDBRANCH  21  26
ENDBRANCH   1  24
TORSDOF 6