REMARK  Name = BDB034429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.165   0.000  -0.302  0.00  0.00    -0.343 N 
ATOM      2  H   LIG    1        0.203  -0.820  -0.774  0.00  0.00    +0.146 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.873   0.910   0.025  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1        2.231   0.517   0.163  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        3.160   1.522   0.521  0.00  0.00    +0.073 A 
ATOM      6  C   LIG    1        4.500   1.184   0.659  0.00  0.00    +0.032 A 
ATOM      7  C   LIG    1        4.971  -0.123   0.466  0.00  0.00    -0.045 A 
ATOM      8  C   LIG    1        4.060  -1.117   0.117  0.00  0.00    +0.004 A 
ATOM      9  N   LIG    1        2.811   2.799   0.745  0.00  0.00    -0.255 NA
ATOM     10  C   LIG    1        1.510   3.130   0.626  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        2.708  -0.803  -0.029  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1        0.520   2.236   0.282  0.00  0.00    +0.043 A 
BRANCH   7  13
ATOM     13  C   LIG    1        6.441  -0.436   0.609  0.00  0.00    +0.035 C 
BRANCH  13  14
ATOM     14  C   LIG    1        7.187  -0.230  -0.714  0.00  0.00    +0.007 C 
BRANCH  14  15
ATOM     15  C   LIG    1        8.696  -0.537  -0.672  0.00  0.00    -0.017 C 
ATOM     16  C   LIG    1        8.982  -2.006  -0.359  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1        9.450   0.373   0.298  0.00  0.00    +0.007 C 
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH   7  13
ENDBRANCH   1   3
BRANCH   1  18
ATOM     18  C   LIG    1       -0.971  -0.381   0.868  0.00  0.00    +0.103 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.199  -1.173   0.415  0.00  0.00    +0.034 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.268  -0.303  -0.253  0.00  0.00    +0.083 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.906   0.578   0.727  0.00  0.00    -0.312 NA
ATOM     22  H   LIG    1       -4.455   0.022   1.388  0.00  0.00    +0.122 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.832   1.534   0.110  0.00  0.00    +0.120 C 
BRANCH  23  26
ATOM     24  C   LIG    1       -8.177  -0.314  -0.294  0.00  0.00    +0.162 A 
ATOM     25  C   LIG    1       -7.034   0.270   0.276  0.00  0.00    +0.163 A 
ATOM     26  C   LIG    1       -6.058   0.901  -0.504  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -6.246   0.934  -1.893  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1       -7.378   0.356  -2.473  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -8.343  -0.267  -1.677  0.00  0.00    +0.049 A 
BRANCH  24  31
ATOM     30  C   LIG    1      -10.214  -1.486   0.067  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -9.039  -0.891   0.605  0.00  0.00    -0.491 OA
ENDBRANCH  24  31
BRANCH  25  32
ATOM     32  O   LIG    1       -6.870   0.210   1.638  0.00  0.00    -0.503 OA
ATOM     33  H   LIG    1       -7.673  -0.243   1.966  0.00  0.00    +0.292 HD
ENDBRANCH  25  32
ENDBRANCH  23  26
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 12