REMARK  Name = BDB004700
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.619  -0.746   0.854  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        3.615  -0.785  -0.137  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        2.298  -0.479   0.259  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        1.306  -0.539  -0.743  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        1.596  -0.829  -2.021  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        2.871  -1.094  -2.298  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        2.021  -0.123   1.603  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.024  -0.087   2.562  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        3.884  -1.098  -1.425  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.320  -0.402   2.188  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        6.417  -1.407  -0.689  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        7.387  -1.600  -0.888  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.730  -1.434  -1.437  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        6.057  -1.057   0.578  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.907  -1.004   1.462  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.034  -0.256  -0.409  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.320  -0.851   0.365  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.984  -0.353  -1.511  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.373  -0.079  -0.975  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.738   1.228  -0.607  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1       -4.010   1.446  -0.109  0.00  0.00    -0.002 A 
ATOM     22  C   LIG    1       -4.625   2.689   0.405  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1       -6.080   2.223   0.480  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1       -6.114   0.779   0.562  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1       -4.905   0.399   0.039  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1       -4.575  -0.897  -0.294  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -3.297  -1.135  -0.808  0.00  0.00    +0.009 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4