REMARK  Name = BDB054428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.290   0.509   2.596  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.278   0.324   1.705  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -2.514   0.473   2.224  0.00  0.00    +0.188 A 
ATOM      4  C   LIG    1       -2.808   0.799   3.534  0.00  0.00    +0.150 A 
ATOM      5  N   LIG    1       -4.153   0.894   3.710  0.00  0.00    -0.126 NA
ATOM      6  N   LIG    1       -4.730   0.636   2.544  0.00  0.00    -0.058 NA
ATOM      7  C   LIG    1       -1.731   0.963   4.386  0.00  0.00    +0.147 A 
ATOM      8  N   LIG    1       -3.760   0.352   1.621  0.00  0.00    -0.194 N 
ATOM      9  N   LIG    1       -0.473   0.805   3.903  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -4.108  -0.003   0.288  0.00  0.00    +0.069 A 
ATOM     11  C   LIG    1       -5.459   0.015  -0.099  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -5.826  -0.329  -1.402  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -4.852  -0.697  -2.327  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -3.511  -0.725  -1.950  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -3.137  -0.381  -0.648  0.00  0.00    +0.028 A 
ENDBRANCH   8  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.046   0.366   2.231  0.00  0.00    -0.284 N 
ATOM     17  H   LIG    1        1.626   0.499   3.047  0.00  0.00    +0.155 HD
BRANCH  16  21
ATOM     18  C   LIG    1        3.145   0.002  -1.428  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        3.776  -0.223  -0.209  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1        3.060  -0.083   0.989  0.00  0.00    +0.027 A 
ATOM     21  C   LIG    1        1.708   0.293   1.001  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        1.089   0.506  -0.231  0.00  0.00    +0.027 A 
ATOM     23  C   LIG    1        1.800   0.372  -1.430  0.00  0.00    +0.047 A 
BRANCH  18  24
ATOM     24  O   LIG    1        3.710  -0.093  -2.668  0.00  0.00    -0.481 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.031  -0.603  -2.769  0.00  0.00    +0.349 C 
BRANCH  25  27
ATOM     26  O   LIG    1        6.025   1.591  -2.227  0.00  0.00    -0.247 OA
ATOM     27  C   LIG    1        6.136   0.407  -2.497  0.00  0.00    +0.343 C 
BRANCH  27  28
ATOM     28  O   LIG    1        7.364  -0.150  -2.584  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1        7.972   0.600  -2.407  0.00  0.00    +0.295 HD
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  18  24
ENDBRANCH  16  21
ENDBRANCH   1  16
TORSDOF 7