REMARK  Name = BDB019891
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.349   1.928   1.400  0.00  0.00    -0.017 A 
ATOM      2  C   LIG    1       -0.251   1.068   1.550  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.210  -0.175   0.906  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -1.294  -0.582   0.120  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1       -2.415   0.247  -0.046  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -2.417   1.503   0.589  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        0.721   6.383   2.380  0.00  0.00    +0.065 C 
ATOM      8  C   LIG    1       -0.395   5.394   2.544  0.00  0.00    +0.039 A 
ATOM      9  N   LIG    1       -1.437   5.758   3.324  0.00  0.00    -0.260 NA
ATOM     10  C   LIG    1       -2.437   4.866   3.475  0.00  0.00    +0.111 A 
ATOM     11  C   LIG    1       -2.455   3.618   2.875  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -1.380   3.241   2.064  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1       -0.331   4.157   1.906  0.00  0.00    +0.031 A 
ENDBRANCH   1  12
BRANCH   3  14
ATOM     14  C   LIG    1        0.995  -1.032   1.102  0.00  0.00    +0.244 C 
ATOM     15  N   LIG    1        1.254  -1.969   0.124  0.00  0.00    -0.307 N 
ATOM     16  H   LIG    1        0.755  -1.923  -0.753  0.00  0.00    +0.149 HD
ATOM     17  O   LIG    1        1.715  -0.861   2.080  0.00  0.00    -0.270 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.466  -2.756   0.134  0.00  0.00    +0.139 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.507  -2.143  -0.767  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.330  -1.109  -0.292  0.00  0.00    +0.010 A 
ATOM     21  C   LIG    1        5.291  -0.502  -1.118  0.00  0.00    -0.032 A 
ATOM     22  C   LIG    1        6.151   0.599  -0.565  0.00  0.00    +0.045 C 
ATOM     23  C   LIG    1        5.412  -0.946  -2.443  0.00  0.00    +0.044 A 
ATOM     24 CL   LIG    1        6.566  -0.254  -3.527  0.00  0.00    -0.083 Cl
ATOM     25  C   LIG    1        4.591  -1.968  -2.928  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        3.641  -2.562  -2.096  0.00  0.00    +0.006 A 
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   3  14
BRANCH   5  27
ATOM     27  C   LIG    1       -3.581  -0.132  -0.940  0.00  0.00    +0.159 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -3.845  -1.556  -0.966  0.00  0.00    -0.313 N 
ATOM     29  C   LIG    1       -3.329  -2.468  -1.896  0.00  0.00    +0.204 A 
ATOM     30  N   LIG    1       -2.542  -2.268  -2.892  0.00  0.00    -0.268 NA
ATOM     31  H   LIG    1       -2.328  -1.275  -2.970  0.00  0.00    +0.190 HD
ATOM     32  N   LIG    1       -3.833  -3.703  -1.479  0.00  0.00    -0.320 N 
ATOM     33  C   LIG    1       -3.466  -4.954  -2.094  0.00  0.00    +0.152 C 
ATOM     34  C   LIG    1       -4.574  -3.546  -0.319  0.00  0.00    +0.106 A 
ATOM     35  C   LIG    1       -4.589  -2.243  -0.009  0.00  0.00    +0.107 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 6