REMARK  Name = BDB053375
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.149   2.329   0.902  0.00  0.00    +0.221 C 
ATOM      2  N   LIG    1        0.974   1.236   0.614  0.00  0.00    -0.294 N 
ATOM      3  O   LIG    1        0.540   3.489   0.745  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      4  C   LIG    1       -2.159   1.530   0.194  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1       -1.284   2.045   1.378  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1       -1.874   3.321   2.008  0.00  0.00    +0.094 C 
ATOM      7  N   LIG    1       -3.302   3.149   2.268  0.00  0.00    -0.315 NA
ATOM      8  H   LIG    1       -3.660   3.941   2.803  0.00  0.00    +0.122 HD
ATOM      9  C   LIG    1       -4.074   3.006   1.032  0.00  0.00    +0.081 C 
ATOM     10  C   LIG    1       -3.245   2.558  -0.176  0.00  0.00    +0.024 C 
BRANCH   4  16
ATOM     11  C   LIG    1       -4.369  -3.797   0.527  0.00  0.00    +0.152 C 
ATOM     12  N   LIG    1       -3.826  -2.449   0.504  0.00  0.00    -0.318 N 
ATOM     13  C   LIG    1       -3.798  -1.704   1.680  0.00  0.00    +0.251 A 
ATOM     14  O   LIG    1       -4.186  -2.102   2.776  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1       -3.237  -0.330   1.565  0.00  0.00    +0.074 A 
ATOM     16  C   LIG    1       -2.782   0.148   0.393  0.00  0.00    -0.037 A 
ATOM     17  C   LIG    1       -2.866  -0.704  -0.782  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -3.370  -1.940  -0.697  0.00  0.00    +0.089 A 
ENDBRANCH   4  16
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        0.666  -0.131   0.970  0.00  0.00    +0.077 C 
ATOM     20  C   LIG    1        1.673  -1.031   1.650  0.00  0.00    +0.024 C 
ATOM     21  C   LIG    1        0.473  -0.565   2.403  0.00  0.00    +0.024 C 
ENDBRANCH   2  19
BRANCH   2  22
ATOM     22  C   LIG    1        2.261   1.508  -0.039  0.00  0.00    +0.144 C 
BRANCH  22  23
ATOM     23  C   LIG    1        2.551   0.618  -1.234  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        1.858   0.734  -2.455  0.00  0.00    +0.064 A 
ATOM     25 CL   LIG    1        0.651   1.963  -2.661  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1        2.159  -0.139  -3.514  0.00  0.00    +0.060 A 
ATOM     27 CL   LIG    1        1.343  -0.070  -5.039  0.00  0.00    -0.082 Cl
ATOM     28  C   LIG    1        3.151  -1.114  -3.369  0.00  0.00    +0.025 A 
ATOM     29  C   LIG    1        3.857  -1.236  -2.170  0.00  0.00    -0.045 A 
ATOM     30  C   LIG    1        3.556  -0.364  -1.115  0.00  0.00    +0.010 A 
BRANCH  29  31
ATOM     31  C   LIG    1        4.945  -2.273  -2.021  0.00  0.00    +0.050 C 
BRANCH  31  32
ATOM     32  C   LIG    1        6.303  -1.739  -2.474  0.00  0.00    +0.123 C 
BRANCH  32  33
ATOM     33  C   LIG    1        7.341  -2.763  -2.307  0.00  0.00    +0.063 C 
ATOM     34  N   LIG    1        8.154  -3.579  -2.170  0.00  0.00    -0.197 NA
ENDBRANCH  32  33
ENDBRANCH  31  32
ENDBRANCH  29  31
ENDBRANCH  22  23
ENDBRANCH   2  22
TORSDOF 8