REMARK  Name = BDB018143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.338  -0.623  -1.880  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.067  -2.109  -1.634  0.00  0.00    +0.198 C 
ATOM      3  C   LIG    1       -1.398  -2.194  -2.056  0.00  0.00    +0.122 C 
ATOM      4  C   LIG    1       -2.071  -3.490  -1.631  0.00  0.00    +0.047 C 
ATOM      5  C   LIG    1       -1.972  -0.860  -1.527  0.00  0.00    +0.188 C 
ATOM      6  O   LIG    1       -0.872   0.098  -1.596  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        3.175   0.583   1.914  0.00  0.00    +0.163 A 
ATOM      8  C   LIG    1        2.786   0.567   0.563  0.00  0.00    +0.063 A 
ATOM      9  C   LIG    1        3.284   1.109  -0.654  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        2.433   0.723  -1.666  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.428  -0.040  -1.112  0.00  0.00    -0.303 N 
ATOM     12  C   LIG    1        1.634  -0.143   0.244  0.00  0.00    +0.148 A 
ATOM     13  N   LIG    1        0.862  -0.824   1.110  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        1.332  -0.751   2.366  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1        2.421  -0.100   2.809  0.00  0.00    -0.216 NA
BRANCH   7  16
ATOM     16  N   LIG    1        4.312   1.242   2.413  0.00  0.00    -0.248 N 
ATOM     17  H   LIG    1        4.187   1.311   3.423  0.00  0.00    +0.196 HD
BRANCH  16  19
ATOM     18  C   LIG    1        6.131   2.451   1.821  0.00  0.00    +0.229 C 
ATOM     19  O   LIG    1        4.706   2.450   1.829  0.00  0.00    -0.276 OA
ENDBRANCH  16  19
ENDBRANCH   7  16
ENDBRANCH   1  11
BRANCH   2  20
ATOM     20  O   LIG    1        0.877  -2.979  -2.432  0.00  0.00    -0.384 OA
ATOM     21  H   LIG    1        1.782  -2.938  -2.070  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -1.434  -2.169  -3.503  0.00  0.00    -0.383 OA
ATOM     23  H   LIG    1       -0.764  -2.824  -3.792  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   5  24
ATOM     24  C   LIG    1       -2.521  -0.857  -0.078  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.013   0.521   0.344  0.00  0.00    -0.015 A 
ATOM     26  C   LIG    1       -4.236   1.029  -0.128  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -4.677   2.303   0.250  0.00  0.00    +0.060 A 
ATOM     28 CL   LIG    1       -6.197   2.842  -0.369  0.00  0.00    -0.082 Cl
ATOM     29  C   LIG    1       -3.894   3.086   1.102  0.00  0.00    +0.059 A 
ATOM     30 CL   LIG    1       -4.373   4.665   1.614  0.00  0.00    -0.082 Cl
ATOM     31  C   LIG    1       -2.673   2.594   1.569  0.00  0.00    +0.022 A 
ATOM     32  C   LIG    1       -2.235   1.321   1.192  0.00  0.00    +0.008 A 
ENDBRANCH  24  25
BRANCH  24  33
ATOM     33  O   LIG    1       -3.601  -1.779   0.076  0.00  0.00    -0.384 OA
ATOM     34  H   LIG    1       -4.069  -1.545   0.897  0.00  0.00    +0.210 HD
ENDBRANCH  24  33
ENDBRANCH   5  24
TORSDOF 8