REMARK  Name = BDB020863
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.986  -0.012   0.261  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        1.335   1.223  -0.017  0.00  0.00    +0.168 A 
ATOM      3  N   LIG    1       -0.033   1.260   0.093  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.391   2.532  -0.250  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.683   3.236  -0.531  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.806   0.155   0.469  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.206  -0.981   0.708  0.00  0.00    -0.224 NA
ATOM      8  N   LIG    1        1.774   2.409  -0.382  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.167  -1.033   0.601  0.00  0.00    +0.122 A 
ENDROOT
BRANCH   1  15
ATOM     10  C   LIG    1        7.742   0.156  -0.182  0.00  0.00    +0.132 C 
ATOM     11  N   LIG    1        6.296   0.280  -0.097  0.00  0.00    -0.304 N 
ATOM     12  C   LIG    1        5.739   0.417   1.170  0.00  0.00    +0.216 C 
ATOM     13  O   LIG    1        6.415   0.482   2.197  0.00  0.00    -0.276 OA
ATOM     14  C   LIG    1        4.236   0.598   1.236  0.00  0.00    +0.104 C 
ATOM     15  C   LIG    1        3.493  -0.233   0.194  0.00  0.00    +0.034 C 
ATOM     16  C   LIG    1        4.064   0.088  -1.188  0.00  0.00    +0.028 C 
ATOM     17  C   LIG    1        5.538  -0.280  -1.208  0.00  0.00    +0.108 C 
ENDBRANCH   1  15
BRANCH   6  18
ATOM     18  N   LIG    1       -2.175   0.296   0.565  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -2.536   1.225   0.753  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.991  -0.749   1.163  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -4.441  -0.454   0.908  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -5.019  -0.604  -0.349  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.408  -1.002  -1.641  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.682  -1.228  -2.456  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.763  -0.474  -1.860  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -6.356  -0.292  -0.565  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -7.173   0.180   0.442  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.618   0.331   1.712  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.270   0.017   1.933  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -4.767   0.196   3.163  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4