REMARK  Name = BDB065361
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.791  -0.771   1.023  0.00  0.00    -0.251 N 
ATOM      2  N   LIG    1       -1.046  -2.048   0.692  0.00  0.00    -0.065 NA
ATOM      3  N   LIG    1       -2.336  -2.265   0.911  0.00  0.00    -0.133 NA
ATOM      4  C   LIG    1       -2.891  -1.103   1.387  0.00  0.00    +0.103 A 
ATOM      5  C   LIG    1       -1.909  -0.138   1.469  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.543  -0.225   0.880  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  C   LIG    1        1.453  -0.630   2.038  0.00  0.00    +0.023 C 
BRANCH   7   8
ATOM      8  C   LIG    1        2.814   0.070   2.015  0.00  0.00    +0.002 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.661  -0.287   0.792  0.00  0.00    +0.011 C 
BRANCH   9  10
ATOM     10  C   LIG    1        5.057   0.330   0.884  0.00  0.00    +0.120 C 
BRANCH  10  11
ATOM     11  C   LIG    1        5.897   0.007  -0.330  0.00  0.00    +0.307 C 
ATOM     12  O   LIG    1        5.505  -0.590  -1.321  0.00  0.00    -0.251 OA
BRANCH  11  13
ATOM     13  O   LIG    1        7.155   0.499  -0.150  0.00  0.00    -0.465 OA
BRANCH  13  15
ATOM     14  C   LIG    1        7.959   1.373  -2.261  0.00  0.00    +0.048 C 
ATOM     15  C   LIG    1        8.076   0.269  -1.227  0.00  0.00    +0.229 C 
ENDBRANCH  13  15
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   4  16
ATOM     16  C   LIG    1       -4.338  -1.023   1.719  0.00  0.00    +0.185 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -5.048  -0.281   0.680  0.00  0.00    -0.293 N 
ATOM     18  C   LIG    1       -5.250   1.087   0.858  0.00  0.00    +0.350 A 
ATOM     19  O   LIG    1       -4.862   1.662   1.873  0.00  0.00    -0.244 OA
ATOM     20  N   LIG    1       -5.903   1.780  -0.131  0.00  0.00    -0.178 NA
ATOM     21  C   LIG    1       -6.274   1.173  -1.217  0.00  0.00    +0.126 A 
ATOM     22  C   LIG    1       -6.035  -0.273  -1.470  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -6.441  -0.894  -2.764  0.00  0.00    +0.049 C 
ATOM     24  C   LIG    1       -5.422  -0.923  -0.479  0.00  0.00    +0.097 A 
BRANCH  21  25
ATOM     25  N   LIG    1       -6.921   1.954  -2.137  0.00  0.00    -0.343 N 
ATOM     26  H   LIG    1       -7.189   2.849  -1.737  0.00  0.00    +0.144 HD
ATOM     27  H   LIG    1       -7.675   1.518  -2.652  0.00  0.00    +0.144 HD
ENDBRANCH  21  25
ENDBRANCH  16  17
ENDBRANCH   4  16
TORSDOF 11