REMARK  Name = BDB007984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.553  -0.646  -0.400  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        1.960  -0.252   0.863  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        1.200  -0.321   1.540  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        2.142  -0.337  -1.430  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.332  -1.573  -0.381  0.00  0.00    +0.180 C 
BRANCH   5   9
ATOM      6  C   LIG    1       -3.358  -1.237  -0.535  0.00  0.00    +0.063 C 
ATOM      7  C   LIG    1       -2.382  -0.086  -0.793  0.00  0.00    +0.027 C 
ATOM      8  C   LIG    1       -1.353   0.080   0.330  0.00  0.00    +0.085 C 
ATOM      9  N   LIG    1       -0.620  -1.150   0.675  0.00  0.00    -0.294 NA
ATOM     10  C   LIG    1       -1.567  -2.223   1.012  0.00  0.00    +0.085 C 
ATOM     11  C   LIG    1       -2.612  -2.499  -0.073  0.00  0.00    +0.027 C 
BRANCH   6  12
ATOM     12  C   LIG    1       -4.447  -0.823   0.460  0.00  0.00    +0.166 C 
ATOM     13  O   LIG    1       -4.408  -1.174   1.639  0.00  0.00    -0.292 OA
BRANCH  12  18
ATOM     14  C   LIG    1       -8.962   2.497  -1.111  0.00  0.00    +0.044 C 
ATOM     15  C   LIG    1       -7.777   1.665  -0.716  0.00  0.00    -0.050 A 
ATOM     16  C   LIG    1       -6.847   1.254  -1.677  0.00  0.00    +0.004 A 
ATOM     17  C   LIG    1       -5.758   0.450  -1.319  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -5.589   0.038   0.007  0.00  0.00    +0.018 A 
ATOM     19  C   LIG    1       -6.532   0.437   0.965  0.00  0.00    +0.011 A 
ATOM     20  C   LIG    1       -7.619   1.239   0.606  0.00  0.00    +0.004 A 
ENDBRANCH  12  18
ENDBRANCH   6  12
ENDBRANCH   5   9
ENDBRANCH   1   5
BRANCH   2  21
ATOM     21  C   LIG    1        2.905   0.841   1.014  0.00  0.00    +0.178 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.341   0.422   0.723  0.00  0.00    +0.127 A 
ATOM     23  N   LIG    1        4.646  -0.885   0.988  0.00  0.00    -0.309 N 
ATOM     24  H   LIG    1        3.907  -1.524   1.244  0.00  0.00    +0.170 HD
ATOM     25  C   LIG    1        5.885  -1.409   0.771  0.00  0.00    +0.257 A 
ATOM     26  O   LIG    1        6.144  -2.591   0.961  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1        6.891  -0.443   0.302  0.00  0.00    +0.064 A 
ATOM     28  C   LIG    1        8.279  -0.933   0.052  0.00  0.00    +0.202 C 
ATOM     29  O   LIG    1        9.077   0.026  -0.663  0.00  0.00    -0.375 OA
ATOM     30  C   LIG    1        8.934   1.344  -0.130  0.00  0.00    +0.166 C 
ATOM     31  C   LIG    1        7.507   1.846  -0.348  0.00  0.00    +0.084 C 
ATOM     32  C   LIG    1        6.498   0.827   0.115  0.00  0.00    +0.056 A 
ATOM     33  N   LIG    1        5.220   1.289   0.328  0.00  0.00    -0.237 NA
ENDBRANCH  21  22
ENDBRANCH   2  21
TORSDOF 6