REMARK  Name = BDB041153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.093  -1.134  -1.240  0.00  0.00    +0.169 A 
ATOM      2  N   LIG    1       -3.302  -1.972  -2.278  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -2.157  -2.452  -2.808  0.00  0.00    +0.115 A 
ATOM      4  C   LIG    1       -0.904  -2.107  -2.336  0.00  0.00    +0.192 A 
ATOM      5  O   LIG    1        0.066  -2.743  -3.053  0.00  0.00    -0.458 OA
ATOM      6  C   LIG    1       -0.578  -3.491  -3.992  0.00  0.00    +0.198 A 
ATOM      7  C   LIG    1       -0.752  -1.231  -1.268  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1       -1.944  -3.345  -3.881  0.00  0.00    +0.069 A 
ATOM      9  N   LIG    1       -1.897  -0.746  -0.731  0.00  0.00    -0.209 NA
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1       -4.672  -0.865   0.664  0.00  0.00    +0.229 A 
ATOM     11  C   LIG    1       -4.275  -0.552  -0.628  0.00  0.00    +0.102 A 
ATOM     12  C   LIG    1       -5.088   0.362  -1.299  0.00  0.00    +0.062 A 
ATOM     13  N   LIG    1       -6.197   0.887  -0.713  0.00  0.00    -0.239 NA
ATOM     14  C   LIG    1       -6.474   0.506   0.539  0.00  0.00    +0.225 A 
ATOM     15  N   LIG    1       -5.762  -0.352   1.270  0.00  0.00    -0.201 NA
BRANCH  12  16
ATOM     16  C   LIG    1       -4.788   0.817  -2.718  0.00  0.00    +0.039 C 
ATOM     17  C   LIG    1       -3.586   1.693  -2.994  0.00  0.00    +0.010 C 
ATOM     18  C   LIG    1       -4.965   2.268  -3.103  0.00  0.00    +0.010 C 
ENDBRANCH  12  16
BRANCH  10  20
ATOM     19  C   LIG    1       -4.361  -2.021   2.691  0.00  0.00    +0.279 C 
ATOM     20  O   LIG    1       -3.910  -1.789   1.361  0.00  0.00    -0.479 OA
ENDBRANCH  10  20
ENDBRANCH   1  11
BRANCH   7  21
ATOM     21  N   LIG    1        0.497  -0.853  -0.780  0.00  0.00    -0.322 N 
ATOM     22  H   LIG    1        1.219  -1.514  -1.055  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        0.516  -0.483   0.623  0.00  0.00    +0.138 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.945  -0.213   1.040  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        2.609   0.935   0.580  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        3.935   1.195   0.952  0.00  0.00    -0.033 A 
ATOM     27  C   LIG    1        4.657   2.403   0.426  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        5.731   2.844   1.413  0.00  0.00    +0.112 C 
ATOM     29  N   LIG    1        6.599   1.739   1.796  0.00  0.00    -0.300 N 
ATOM     30  C   LIG    1        6.038   0.512   2.158  0.00  0.00    +0.247 C 
ATOM     31  O   LIG    1        6.653  -0.361   2.763  0.00  0.00    -0.270 OA
ATOM     32  C   LIG    1        7.918   2.068   2.304  0.00  0.00    +0.132 C 
ATOM     33  C   LIG    1        4.613   0.281   1.772  0.00  0.00    +0.040 A 
ATOM     34  C   LIG    1        3.960  -0.871   2.225  0.00  0.00    +0.013 A 
ATOM     35  C   LIG    1        2.633  -1.116   1.862  0.00  0.00    +0.006 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   7  21
TORSDOF 6