REMARK  Name = BDB036193
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.126   0.723   1.251  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1        1.019   0.624   2.185  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        2.388   0.968   1.554  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        2.688   0.036   0.453  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1        1.530  -0.473  -0.304  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1        0.295   0.446  -0.140  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.986  -0.139  -0.014  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1        5.075   0.709   0.293  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1        4.866   1.797   1.055  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1        6.352   0.557  -0.133  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1        6.588  -0.516  -0.924  0.00  0.00    +0.128 A 
ATOM     12  C   LIG    1        5.615  -1.427  -1.297  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1        4.314  -1.231  -0.833  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1        7.996  -0.694  -1.400  0.00  0.00    +0.260 C 
ATOM     15  O   LIG    1        8.338  -1.623  -2.119  0.00  0.00    -0.269 OA
ATOM     16  N   LIG    1        8.882   0.259  -0.976  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        9.849   0.207  -1.260  0.00  0.00    +0.145 HD
ATOM     18  H   LIG    1        8.559   1.017  -0.384  0.00  0.00    +0.145 HD
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.221  -0.152   1.700  0.00  0.00    +0.122 C 
BRANCH  19  30
ATOM     20  C   LIG    1       -8.335   0.414  -1.843  0.00  0.00    +0.071 C 
ATOM     21  C   LIG    1       -7.004   0.120  -1.214  0.00  0.00    +0.103 A 
ATOM     22  C   LIG    1       -6.555  -1.341  -1.222  0.00  0.00    +0.270 A 
ATOM     23  O   LIG    1       -7.258  -2.207  -1.719  0.00  0.00    -0.266 OA
ATOM     24  N   LIG    1       -5.338  -1.588  -0.644  0.00  0.00    -0.317 N 
ATOM     25  H   LIG    1       -5.002  -2.543  -0.626  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1       -4.567  -0.559  -0.088  0.00  0.00    +0.104 A 
ATOM     27  C   LIG    1       -5.054   0.753  -0.122  0.00  0.00    +0.090 A 
ATOM     28  C   LIG    1       -4.281   1.770   0.439  0.00  0.00    +0.030 A 
ATOM     29  C   LIG    1       -3.041   1.485   1.023  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1       -2.546   0.171   1.048  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -3.331  -0.843   0.494  0.00  0.00    +0.153 A 
ATOM     32  F   LIG    1       -2.894  -2.112   0.513  0.00  0.00    -0.203 F 
ATOM     33  N   LIG    1       -6.294   1.083  -0.699  0.00  0.00    -0.245 NA
ENDBRANCH  19  30
ENDBRANCH   1  19
TORSDOF 4