REMARK  Name = BDB018918
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.157   0.233   0.396  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        2.058   1.069   0.643  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1        0.785   0.667   0.190  0.00  0.00    +0.033 A 
ATOM      4  C   LIG    1        0.568  -0.539  -0.502  0.00  0.00    +0.039 A 
ATOM      5  N   LIG    1       -0.733  -0.884  -0.966  0.00  0.00    -0.285 N 
ATOM      6  C   LIG    1       -0.884  -2.289  -1.386  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        0.257  -2.697  -2.305  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        1.563  -2.635  -1.534  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.693  -1.337  -0.783  0.00  0.00    -0.025 A 
ATOM     10  C   LIG    1        2.965  -0.957  -0.320  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -1.939  -0.450  -0.341  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1       -2.010  -0.384   1.022  0.00  0.00    -0.238 NA
ATOM     13  C   LIG    1       -3.160   0.034   1.604  0.00  0.00    +0.140 A 
ATOM     14  C   LIG    1       -4.247   0.383   0.853  0.00  0.00    +0.088 A 
ATOM     15  N   LIG    1       -5.525   0.837   1.197  0.00  0.00    -0.294 N 
ATOM     16  C   LIG    1       -6.263   1.060   0.014  0.00  0.00    +0.330 A 
ATOM     17  N   LIG    1       -5.399   0.723  -1.053  0.00  0.00    -0.295 N 
ATOM     18  C   LIG    1       -5.722   0.809  -2.448  0.00  0.00    +0.154 C 
ATOM     19  O   LIG    1       -7.412   1.463  -0.070  0.00  0.00    -0.246 OA
ATOM     20  C   LIG    1       -5.993   1.059   2.534  0.00  0.00    +0.154 C 
ATOM     21  C   LIG    1       -4.166   0.310  -0.529  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1       -3.018  -0.104  -1.163  0.00  0.00    +0.072 A 
ENDBRANCH   5  11
BRANCH   1  27
ATOM     23  C   LIG    1        7.990   1.307   0.419  0.00  0.00    +0.172 C 
ATOM     24  N   LIG    1        6.633   1.035   0.825  0.00  0.00    -0.274 N 
ATOM     25  N   LIG    1        6.314   1.068   2.131  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        5.012   0.769   2.146  0.00  0.00    +0.142 A 
ATOM     27  C   LIG    1        4.493   0.561   0.850  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.575   0.739   0.014  0.00  0.00    +0.116 A 
ENDBRANCH   1  27
BRANCH   2  29
ATOM     29  C   LIG    1        2.193   2.374   1.385  0.00  0.00    +0.372 C 
ATOM     30  F   LIG    1        1.107   3.191   1.248  0.00  0.00    -0.204 F 
ATOM     31  F   LIG    1        2.343   2.196   2.728  0.00  0.00    -0.204 F 
ENDBRANCH   2  29
TORSDOF 3