REMARK  Name = BDB027727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.136  -0.896  -1.317  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -2.166  -0.555  -2.213  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1       -3.393  -0.233  -1.631  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1       -4.412   0.114  -2.506  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1       -4.323   0.159  -3.861  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -3.132  -0.171  -4.390  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1       -3.600  -0.252  -0.307  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1       -2.561  -0.598   0.460  0.00  0.00    +0.164 A 
ATOM      9  C   LIG    1       -2.040  -0.529  -3.623  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1       -1.345  -0.940   0.006  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1       -2.768  -0.666   1.906  0.00  0.00    +0.040 A 
ATOM     12  C   LIG    1       -3.300   0.390   2.658  0.00  0.00    +0.070 A 
ATOM     13 CL   LIG    1       -3.707   1.927   1.986  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1       -3.462   0.213   4.028  0.00  0.00    +0.131 A 
ATOM     15  N   LIG    1       -3.132  -0.916   4.698  0.00  0.00    -0.262 NA
ATOM     16  C   LIG    1       -2.612  -1.919   3.965  0.00  0.00    +0.111 A 
ATOM     17  C   LIG    1       -2.413  -1.841   2.596  0.00  0.00    +0.033 A 
ENDBRANCH   8  11
BRANCH   1  18
ATOM     18  N   LIG    1        0.136  -1.203  -1.833  0.00  0.00    -0.321 N 
ATOM     19  H   LIG    1        0.425  -0.391  -2.385  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        1.272  -1.558  -0.945  0.00  0.00    +0.051 C 
ATOM     21  C   LIG    1        2.458  -1.858  -1.895  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1        0.999  -2.836  -0.140  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     23  C   LIG    1        1.663  -0.373  -0.022  0.00  0.00    +0.185 C 
BRANCH  23  24
ATOM     24  O   LIG    1        1.866   0.807  -0.817  0.00  0.00    -0.375 OA
BRANCH  24  25
ATOM     25  C   LIG    1        1.853   2.020  -0.057  0.00  0.00    +0.194 C 
BRANCH  25  27
ATOM     26  C   LIG    1        3.090   3.660   1.404  0.00  0.00    +0.043 C 
ATOM     27  C   LIG    1        3.085   2.229   0.858  0.00  0.00    +0.084 C 
ATOM     28  C   LIG    1        4.393   1.944   0.119  0.00  0.00    +0.043 C 
BRANCH  27  29
ATOM     29  O   LIG    1        3.027   1.343   1.985  0.00  0.00    -0.387 OA
ATOM     30  H   LIG    1        2.231   1.563   2.500  0.00  0.00    +0.210 HD
ENDBRANCH  27  29
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 8