REMARK  Name = BDB036402
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.612  -0.185  -0.325  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -3.109  -1.461  -0.108  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -4.082  -1.990  -0.610  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -2.237  -2.094   0.887  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -1.293  -1.155   1.301  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1       -0.334  -1.488   2.251  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1       -0.353  -2.802   2.755  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -1.317  -3.736   2.328  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.277  -3.383   1.381  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.535   0.142   0.599  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -6.523   2.776  -2.833  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -5.601   2.145  -2.326  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -5.523   1.974  -0.967  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -6.281   2.368  -0.427  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -4.497   1.413  -0.242  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -4.505   1.464   0.988  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.320   0.858  -1.060  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -3.789   0.423  -2.447  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -4.454   1.599  -3.145  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        0.710  -0.501   2.687  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        1.754  -0.410   1.691  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        2.088  -1.283   1.305  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.562   0.702   1.624  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        2.393   1.701   2.312  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.705   0.637   0.673  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        4.821   1.441   0.924  0.00  0.00    +0.052 A 
ATOM     27  C   LIG    1        5.906   1.409   0.052  0.00  0.00    +0.136 A 
ATOM     28  F   LIG    1        6.968   2.180   0.318  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        5.906   0.596  -1.079  0.00  0.00    +0.090 A 
ATOM     30  C   LIG    1        4.777  -0.197  -1.338  0.00  0.00    +0.016 A 
ATOM     31  C   LIG    1        3.680  -0.175  -0.470  0.00  0.00    +0.014 A 
BRANCH  29  32
ATOM     32  C   LIG    1        7.103   0.601  -1.984  0.00  0.00    +0.420 C 
ATOM     33  F   LIG    1        6.962  -0.239  -3.050  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1        7.362   1.826  -2.517  0.00  0.00    -0.166 F 
ATOM     35  F   LIG    1        8.243   0.203  -1.356  0.00  0.00    -0.166 F 
ENDBRANCH  29  32
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 5