REMARK  Name = BDB036172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.992   0.602  -1.659  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1        0.923   1.232  -0.854  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1        0.102   0.186  -0.060  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.434  -0.939  -0.866  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.677  -1.527  -1.650  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.498  -0.519  -2.493  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        5.906   0.278  -0.220  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1        4.938   0.552   0.687  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1        3.677   0.652   0.201  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1        2.744   0.914   1.132  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1        3.291   0.482  -1.145  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1        4.352   0.219  -2.027  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        5.667   0.109  -1.573  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1        8.672   0.386   2.354  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1        7.405   0.331   1.676  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1        6.551   0.596   2.162  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        7.303   0.170   0.311  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1        8.255  -0.035  -0.433  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1       -1.550  -0.542  -1.740  0.00  0.00    +0.120 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.803  -0.138  -0.976  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1       -3.521  -1.031  -0.142  0.00  0.00    -0.021 A 
ATOM     22  C   LIG    1       -3.078  -2.463   0.029  0.00  0.00    +0.046 C 
ATOM     23  C   LIG    1       -4.636  -0.538   0.573  0.00  0.00    +0.071 A 
ATOM     24  C   LIG    1       -5.071   0.794   0.429  0.00  0.00    +0.088 A 
ATOM     25  N   LIG    1       -6.184   1.317   1.112  0.00  0.00    -0.245 NA
ATOM     26  C   LIG    1       -6.824   0.534   1.928  0.00  0.00    +0.103 A 
ATOM     27  C   LIG    1       -6.424  -0.914   2.175  0.00  0.00    +0.270 A 
ATOM     28  O   LIG    1       -7.049  -1.608   2.963  0.00  0.00    -0.266 OA
ATOM     29  C   LIG    1       -8.018   1.039   2.684  0.00  0.00    +0.071 C 
ATOM     30  C   LIG    1       -4.373   1.645  -0.422  0.00  0.00    +0.030 A 
ATOM     31  N   LIG    1       -5.342  -1.362   1.464  0.00  0.00    -0.319 N 
ATOM     32  H   LIG    1       -5.063  -2.317   1.634  0.00  0.00    +0.169 HD
ATOM     33  C   LIG    1       -3.251   1.190  -1.112  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4