REMARK  Name = BDB060421
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.401   0.556  -0.195  0.00  0.00    -0.284 N 
ATOM      2  H   LIG    1        0.356   1.254  -0.924  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1  10
ATOM      3  C   LIG    1        3.790   0.125  -1.174  0.00  0.00    +0.146 A 
ATOM      4  C   LIG    1        4.258  -0.847  -0.305  0.00  0.00    +0.141 A 
ATOM      5  C   LIG    1        3.319  -1.303   0.601  0.00  0.00    +0.164 A 
ATOM      6  N   LIG    1        3.968  -2.239   1.352  0.00  0.00    -0.329 N 
ATOM      7  H   LIG    1        3.560  -2.767   2.109  0.00  0.00    +0.168 HD
ATOM      8  C   LIG    1        5.253  -2.319   0.888  0.00  0.00    +0.198 A 
ATOM      9  N   LIG    1        2.044  -0.917   0.723  0.00  0.00    -0.195 NA
ATOM     10  C   LIG    1        1.692   0.031  -0.167  0.00  0.00    +0.223 A 
ATOM     11  N   LIG    1        5.464  -1.491  -0.115  0.00  0.00    -0.231 NA
ATOM     12  N   LIG    1        2.510   0.560  -1.103  0.00  0.00    -0.204 NA
BRANCH   3  14
ATOM     13  C   LIG    1        5.331   1.191  -3.011  0.00  0.00    +0.011 C 
ATOM     14  C   LIG    1        4.628   0.701  -2.169  0.00  0.00    -0.047 C 
ENDBRANCH   3  14
ENDBRANCH   1  10
BRANCH   1  15
ATOM     15  C   LIG    1       -0.750   0.370   0.576  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1       -1.914   1.074   0.219  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -3.118   0.930   0.932  0.00  0.00    -0.037 A 
ATOM     18  C   LIG    1       -3.157   0.066   2.029  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -2.016  -0.642   2.395  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -0.828  -0.492   1.672  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -4.351   1.692   0.506  0.00  0.00    +0.130 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.900   1.270  -0.844  0.00  0.00    +0.215 C 
ATOM     23  O   LIG    1       -5.214   2.070  -1.720  0.00  0.00    -0.276 OA
ATOM     24  N   LIG    1       -5.100  -0.069  -1.025  0.00  0.00    -0.329 N 
ATOM     25  H   LIG    1       -4.567  -0.739  -0.485  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1       -5.371  -0.349  -1.960  0.00  0.00    +0.145 HD
ENDBRANCH  21  22
ENDBRANCH  17  21
ENDBRANCH   1  15
TORSDOF 5