REMARK  Name = BDB021237
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.571   2.608   0.996  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        3.437   1.601   1.340  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        2.822   0.482   1.003  0.00  0.00    +0.146 A 
ATOM      4  N   LIG    1        1.584   0.738   0.444  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1        0.715  -0.282   0.001  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        1.071  -1.530   0.138  0.00  0.00    -0.224 NA
ATOM      7  C   LIG    1        2.300  -1.797   0.700  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        3.199  -0.885   1.119  0.00  0.00    +0.017 A 
ATOM      9  C   LIG    1        1.416   2.105   0.444  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        4.503  -1.180   1.733  0.00  0.00    +0.024 C 
ATOM     11  C   LIG    1        5.411  -2.225   1.129  0.00  0.00    +0.009 C 
ATOM     12  C   LIG    1        5.770  -0.774   1.018  0.00  0.00    +0.009 C 
ENDBRANCH   8  10
BRANCH   1  14
ATOM     13  N   LIG    1        3.115   5.113   1.387  0.00  0.00    -0.189 NA
ATOM     14  C   LIG    1        2.892   3.985   1.221  0.00  0.00    +0.121 C 
ENDBRANCH   1  14
BRANCH   5  15
ATOM     15  N   LIG    1       -0.493   0.077  -0.560  0.00  0.00    -0.310 N 
ATOM     16  H   LIG    1       -0.554   1.002  -0.970  0.00  0.00    +0.149 HD
BRANCH  15  17
ATOM     17  C   LIG    1       -1.316  -0.901  -1.250  0.00  0.00    +0.143 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.666  -0.307  -1.528  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -3.604  -0.092  -0.522  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1       -3.507  -0.323   0.940  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1       -4.978  -0.147   1.315  0.00  0.00    +0.234 C 
ATOM     22  O   LIG    1       -5.633   0.649   0.300  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -4.834   0.489  -0.802  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -5.190   0.885  -2.075  0.00  0.00    +0.049 A 
ATOM     25  C   LIG    1       -4.269   0.673  -3.101  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -3.027   0.086  -2.823  0.00  0.00    +0.129 A 
ATOM     27  F   LIG    1       -2.160  -0.082  -3.832  0.00  0.00    -0.205 F 
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   5  15
TORSDOF 5