REMARK  Name = BDB027724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.163   1.165  -0.310  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        0.510   2.393  -0.171  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        1.891   2.308   0.021  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        2.564   3.510   0.180  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        2.006   4.750   0.157  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1        0.680   4.800  -0.052  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        2.554   1.146   0.049  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.839   0.035  -0.162  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1       -0.101   3.670  -0.219  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.508   0.009  -0.328  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.533  -1.258  -0.142  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1        3.789  -1.485  -0.723  0.00  0.00    +0.070 A 
ATOM     13 CL   LIG    1        4.669  -0.299  -1.620  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1        4.350  -2.756  -0.622  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1        3.766  -3.808  -0.002  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1        2.553  -3.583   0.535  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1        1.913  -2.355   0.489  0.00  0.00    +0.033 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1       -1.555   1.170  -0.483  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1       -1.953   1.771   0.234  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.376  -0.062  -0.624  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1       -1.816  -1.065  -1.643  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -3.731   0.442  -1.185  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -2.675  -0.722   0.755  0.00  0.00    +0.184 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -1.831  -1.917   2.606  0.00  0.00    +0.194 C 
ATOM     25  O   LIG    1       -1.539  -1.371   1.328  0.00  0.00    -0.381 OA
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 5