REMARK  Name = BDB021436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.736  -0.718  -1.685  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        2.773   0.292  -1.786  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.392   0.033  -1.648  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        0.677   1.188  -1.776  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.666   1.182  -1.329  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -1.510   0.300  -2.226  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -1.569  -1.058  -1.713  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1       -0.458  -1.791  -1.303  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1       -0.614  -2.926  -0.845  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        0.949  -1.278  -1.428  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        1.936  -2.288  -1.323  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.301  -2.018  -1.448  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        5.210  -0.407  -1.836  0.00  0.00    +0.119 C 
BRANCH  13  18
ATOM     14  C   LIG    1        8.083   2.172   1.565  0.00  0.00    +0.007 C 
ATOM     15  C   LIG    1        7.971   0.711   1.128  0.00  0.00    -0.012 C 
ATOM     16  C   LIG    1        6.664   0.069   1.621  0.00  0.00    +0.018 C 
ATOM     17  C   LIG    1        5.595   0.054   0.527  0.00  0.00    +0.085 C 
ATOM     18  N   LIG    1        6.005  -0.742  -0.644  0.00  0.00    -0.298 NA
ATOM     19  C   LIG    1        7.449  -0.675  -0.919  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1        8.112   0.599  -0.398  0.00  0.00    +0.018 C 
ENDBRANCH  13  18
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1       -2.866  -1.743  -1.745  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.575  -1.885  -0.377  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -4.737  -2.713  -0.577  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1       -5.340  -2.241  -1.176  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1       -3.995  -0.511   0.207  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -4.328  -0.498   1.647  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1       -4.627   0.867   2.121  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -6.008   1.373   1.760  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -7.056   0.474   1.489  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -8.335   0.966   1.194  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -8.578   2.339   1.188  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -7.546   3.231   1.474  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -6.795  -1.012   1.457  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1       -6.268   2.751   1.763  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1       -5.427  -1.391   2.045  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7