REMARK  Name = BDB029675
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.416  -1.204  -1.119  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.709  -2.033  -1.607  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -1.832  -2.257  -0.570  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -2.424  -0.970  -0.166  0.00  0.00    -0.326 N 
ATOM      5  C   LIG    1       -1.539   0.206  -0.228  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.049  -0.205  -0.130  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.712  -0.879   0.329  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -4.416   0.332   0.415  0.00  0.00    +0.134 A 
ATOM      9  N   LIG    1       -5.679   0.499   0.888  0.00  0.00    -0.249 NA
ATOM     10  C   LIG    1       -6.307  -0.629   1.310  0.00  0.00    +0.125 A 
ATOM     11  C   LIG    1       -5.725  -1.885   1.278  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -4.423  -1.998   0.783  0.00  0.00    +0.027 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -7.700  -0.461   1.838  0.00  0.00    +0.262 C 
ATOM     14  N   LIG    1       -8.173   0.833   1.784  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1       -7.501   1.537   1.487  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1       -9.431   1.220   2.361  0.00  0.00    +0.128 C 
ATOM     17  O   LIG    1       -8.337  -1.409   2.283  0.00  0.00    -0.269 OA
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  18
ATOM     18  C   LIG    1        1.129  -0.598  -2.253  0.00  0.00    +0.121 C 
BRANCH  18  28
ATOM     19  C   LIG    1        7.070   0.961  -0.359  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1        6.801  -0.430   0.226  0.00  0.00    +0.271 A 
ATOM     21  O   LIG    1        7.644  -1.007   0.896  0.00  0.00    -0.266 OA
ATOM     22  N   LIG    1        5.569  -0.964  -0.057  0.00  0.00    -0.318 N 
ATOM     23  H   LIG    1        5.358  -1.880   0.315  0.00  0.00    +0.169 HD
ATOM     24  C   LIG    1        4.641  -0.260  -0.829  0.00  0.00    +0.087 A 
ATOM     25  C   LIG    1        4.965   1.007  -1.324  0.00  0.00    +0.177 A 
ATOM     26  N   LIG    1        4.119   1.735  -2.077  0.00  0.00    -0.234 NA
ATOM     27  C   LIG    1        2.911   1.187  -2.342  0.00  0.00    +0.118 A 
ATOM     28  C   LIG    1        2.490  -0.060  -1.883  0.00  0.00    -0.013 A 
ATOM     29  C   LIG    1        3.395  -0.803  -1.116  0.00  0.00    +0.035 A 
ATOM     30  N   LIG    1        6.202   1.616  -1.073  0.00  0.00    -0.226 NA
BRANCH  19  32
ATOM     31  C   LIG    1        8.386   2.247   1.316  0.00  0.00    +0.010 C 
ATOM     32  C   LIG    1        8.408   1.586  -0.050  0.00  0.00    +0.058 C 
ENDBRANCH  19  32
ENDBRANCH  18  28
ENDBRANCH   1  18
TORSDOF 5