REMARK  Name = BDB004618
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.660   3.084  -0.317  0.00  0.00    -0.324 N 
ATOM      2  H   LIG    1        3.180   3.957  -0.330  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   6
ATOM      3  C   LIG    1        6.569   0.653   1.192  0.00  0.00    +0.063 A 
ATOM      4  C   LIG    1        5.218   1.017   1.374  0.00  0.00    +0.088 A 
ATOM      5  C   LIG    1        4.635   1.857   0.405  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1        3.287   2.220   0.609  0.00  0.00    +0.130 A 
ATOM      7  N   LIG    1        2.582   1.782   1.662  0.00  0.00    -0.220 NA
ATOM      8  C   LIG    1        3.214   0.979   2.514  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        5.391   2.286  -0.715  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1        6.717   1.914  -0.877  0.00  0.00    +0.002 A 
ATOM     11  N   LIG    1        4.491   0.587   2.430  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1        7.306   1.102   0.079  0.00  0.00    +0.015 A 
BRANCH   3  16
ATOM     13  N   LIG    1        6.654  -0.732   3.223  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.674  -0.516   3.380  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        7.150  -1.325   3.872  0.00  0.00    +0.145 HD
ATOM     16  C   LIG    1        7.318  -0.225   2.146  0.00  0.00    +0.244 C 
ATOM     17  O   LIG    1        8.503  -0.493   1.977  0.00  0.00    -0.270 OA
ENDBRANCH   3  16
ENDBRANCH   1   6
BRANCH   1  18
ATOM     18  C   LIG    1        1.234   3.327  -0.119  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.394   2.203  -0.680  0.00  0.00    -0.027 A 
ATOM     20  C   LIG    1       -0.505   1.506   0.142  0.00  0.00    +0.050 A 
ATOM     21  C   LIG    1       -1.299   0.471  -0.363  0.00  0.00    +0.121 A 
ATOM     22  C   LIG    1       -1.200   0.133  -1.712  0.00  0.00    +0.045 A 
ATOM     23  C   LIG    1       -0.309   0.818  -2.543  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        0.483   1.845  -2.032  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  O   LIG    1       -2.130  -0.104   0.558  0.00  0.00    -0.491 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.856  -1.279   0.184  0.00  0.00    +0.244 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -4.223  -0.906  -0.416  0.00  0.00    +0.125 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.992  -2.061  -0.912  0.00  0.00    -0.295 NA
ATOM     29  C   LIG    1       -6.218  -1.636  -1.626  0.00  0.00    +0.112 C 
ATOM     30  C   LIG    1       -7.495  -1.754  -0.779  0.00  0.00    +0.175 C 
ATOM     31  O   LIG    1       -7.748  -3.089  -0.322  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -6.554  -3.869  -0.176  0.00  0.00    +0.175 C 
ATOM     33  C   LIG    1       -5.328  -3.012   0.172  0.00  0.00    +0.112 C 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8