REMARK  Name = BDB013946
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.550  -1.261   0.091  0.00  0.00    +0.160 C 
ATOM      2  C   LIG    1        0.810   0.054   0.340  0.00  0.00    +0.240 C 
ATOM      3  O   LIG    1        1.397   0.964   0.945  0.00  0.00    -0.273 OA
ATOM      4  N   LIG    1       -0.519   0.165  -0.062  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1       -1.265  -0.829  -0.798  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -1.123  -2.227  -0.658  0.00  0.00    -0.026 A 
ATOM      7  C   LIG    1       -1.946  -3.084  -1.440  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -2.881  -2.598  -2.345  0.00  0.00    +0.000 A 
ATOM      9  C   LIG    1       -3.023  -1.233  -2.490  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -0.233  -2.990   0.299  0.00  0.00    +0.039 C 
ATOM     11  C   LIG    1       -2.230  -0.371  -1.728  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1        0.897  -2.276   1.009  0.00  0.00    +0.036 C 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        3.906  -0.803  -0.497  0.00  0.00    +0.230 C 
ATOM     14  N   LIG    1        2.955  -1.065   0.470  0.00  0.00    -0.303 N 
ATOM     15  H   LIG    1        3.073  -0.580   1.351  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        3.690  -0.993  -1.694  0.00  0.00    -0.274 OA
BRANCH  13  17
ATOM     17  C   LIG    1        5.298  -0.362   0.038  0.00  0.00    +0.137 C 
ATOM     18  C   LIG    1        5.235   0.727   1.109  0.00  0.00    +0.034 C 
BRANCH  17  20
ATOM     19  C   LIG    1        5.899   1.300  -1.685  0.00  0.00    +0.101 C 
ATOM     20  N   LIG    1        6.192  -0.002  -1.093  0.00  0.00    -0.309 NA
ATOM     21  H   LIG    1        6.035  -0.708  -1.820  0.00  0.00    +0.122 HD
ENDBRANCH  17  20
ENDBRANCH  13  17
ENDBRANCH   1  14
BRANCH   4  22
ATOM     22  C   LIG    1       -1.166   1.465   0.227  0.00  0.00    +0.152 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.425   1.342   1.069  0.00  0.00    +0.013 A 
ATOM     24  C   LIG    1       -3.625   1.984   0.706  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1       -4.755   1.847   1.521  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1       -4.698   1.091   2.695  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.509   0.474   3.065  0.00  0.00    +0.042 A 
ATOM     28 CL   LIG    1       -3.436  -0.449   4.514  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -2.377   0.601   2.267  0.00  0.00    +0.028 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -3.589   2.713  -0.453  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -4.782   3.380  -0.850  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6