REMARK  Name = BDB018158
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.745  -1.735   1.324  0.00  0.00    +0.188 C 
ATOM      2  C   LIG    1       -0.507  -2.631   1.354  0.00  0.00    +0.122 C 
ATOM      3  C   LIG    1       -0.447  -3.971   0.638  0.00  0.00    +0.047 C 
ATOM      4  C   LIG    1       -1.575  -1.695   0.802  0.00  0.00    +0.198 C 
ATOM      5  C   LIG    1       -1.171  -0.358   1.438  0.00  0.00    +0.252 C 
ATOM      6  O   LIG    1        0.259  -0.399   1.637  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1       -1.512   0.802   0.615  0.00  0.00    -0.303 N 
ATOM      8  C   LIG    1       -2.780   1.077   0.152  0.00  0.00    +0.148 A 
ATOM      9  C   LIG    1       -2.732   2.272  -0.554  0.00  0.00    +0.058 A 
ATOM     10  C   LIG    1       -3.936   2.729  -1.106  0.00  0.00    +0.129 A 
ATOM     11  N   LIG    1       -5.052   1.996  -0.931  0.00  0.00    -0.220 NA
ATOM     12  C   LIG    1       -4.962   0.857  -0.220  0.00  0.00    +0.225 A 
ATOM     13  C   LIG    1       -1.387   2.729  -0.502  0.00  0.00    +0.033 A 
ATOM     14  N   LIG    1       -3.870   0.311   0.350  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1       -0.662   1.813   0.229  0.00  0.00    +0.091 A 
BRANCH  10  16
ATOM     16  N   LIG    1       -4.050   3.898  -1.841  0.00  0.00    -0.343 N 
ATOM     17  H   LIG    1       -3.215   4.191  -2.327  0.00  0.00    +0.144 HD
ATOM     18  H   LIG    1       -4.917   3.920  -2.365  0.00  0.00    +0.144 HD
ENDBRANCH  10  16
ENDBRANCH   5   7
BRANCH   2  19
ATOM     19  O   LIG    1       -0.842  -2.914   2.732  0.00  0.00    -0.383 OA
ATOM     20  H   LIG    1       -1.798  -3.130   2.726  0.00  0.00    +0.210 HD
ENDBRANCH   2  19
BRANCH   4  21
ATOM     21  O   LIG    1       -2.877  -2.151   1.186  0.00  0.00    -0.384 OA
ATOM     22  H   LIG    1       -3.498  -1.432   0.932  0.00  0.00    +0.210 HD
ENDBRANCH   4  21
BRANCH   1  23
ATOM     23  C   LIG    1        1.509  -1.685  -0.027  0.00  0.00    +0.176 C 
BRANCH  23  30
ATOM     24  C   LIG    1        3.583   2.358  -2.221  0.00  0.00    +0.045 C 
ATOM     25  C   LIG    1        3.632   1.313  -1.141  0.00  0.00    -0.032 A 
ATOM     26  C   LIG    1        4.660   1.280  -0.189  0.00  0.00    +0.044 A 
ATOM     27 CL   LIG    1        5.941   2.440  -0.200  0.00  0.00    -0.083 Cl
ATOM     28  C   LIG    1        4.677   0.298   0.803  0.00  0.00    +0.020 A 
ATOM     29  C   LIG    1        3.665  -0.661   0.860  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        2.617  -0.644  -0.070  0.00  0.00    -0.016 A 
ATOM     31  C   LIG    1        2.618   0.342  -1.072  0.00  0.00    +0.011 A 
ENDBRANCH  23  30
BRANCH  23  32
ATOM     32  O   LIG    1        2.086  -2.955  -0.333  0.00  0.00    -0.384 OA
ATOM     33  H   LIG    1        2.890  -2.800  -0.860  0.00  0.00    +0.210 HD
ENDBRANCH  23  32
ENDBRANCH   1  23
TORSDOF 7