REMARK  Name = BDB054667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.388  -1.294   0.526  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.114  -0.126   0.155  0.00  0.00    +0.105 A 
ATOM      3  N   LIG    1       -3.399  -0.413  -0.092  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -3.547  -1.726   0.207  0.00  0.00    -0.239 N 
ATOM      5  C   LIG    1       -2.352  -2.283   0.585  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.647   1.255   0.031  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.011   2.019  -1.089  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1       -1.567   3.338  -1.226  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -0.757   3.900  -0.232  0.00  0.00    +0.126 A 
ATOM     10  C   LIG    1       -0.395   3.154   0.897  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -0.846   1.836   1.026  0.00  0.00    +0.012 A 
BRANCH   9  12
ATOM     12  N   LIG    1       -0.285   5.284  -0.373  0.00  0.00    +0.056 N 
ATOM     13  O   LIG    1        0.393   5.758   0.549  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1       -0.584   5.891  -1.411  0.00  0.00    -0.126 OA
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   4  15
ATOM     15  C   LIG    1       -4.817  -2.361   0.102  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1       -5.930  -1.611  -0.311  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -7.185  -2.215  -0.421  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -7.338  -3.567  -0.120  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -6.238  -4.317   0.292  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -4.979  -3.720   0.405  0.00  0.00    +0.028 A 
ENDBRANCH   4  15
BRANCH   1  23
ATOM     21  N   LIG    1        0.880  -0.716   0.090  0.00  0.00    -0.281 N 
ATOM     22  H   LIG    1        0.462  -0.150  -0.636  0.00  0.00    +0.155 HD
ATOM     23  C   LIG    1        0.023  -1.510   0.827  0.00  0.00    +0.252 C 
ATOM     24  O   LIG    1        0.355  -2.365   1.640  0.00  0.00    -0.270 OA
BRANCH  21  28
ATOM     25  C   LIG    1        5.086  -0.315   0.277  0.00  0.00    +0.121 A 
ATOM     26  C   LIG    1        4.433  -1.168   1.169  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        3.043  -1.327   1.131  0.00  0.00    +0.027 A 
ATOM     28  C   LIG    1        2.283  -0.630   0.195  0.00  0.00    +0.034 A 
ATOM     29  C   LIG    1        2.937   0.231  -0.695  0.00  0.00    +0.027 A 
ATOM     30  C   LIG    1        4.329   0.389  -0.655  0.00  0.00    +0.047 A 
BRANCH  25  31
ATOM     31  O   LIG    1        6.441  -0.257   0.437  0.00  0.00    -0.492 OA
BRANCH  31  33
ATOM     32  C   LIG    1        7.352   1.935  -0.059  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1        7.216   0.489  -0.500  0.00  0.00    +0.225 C 
ENDBRANCH  31  33
ENDBRANCH  25  31
ENDBRANCH  21  28
ENDBRANCH   1  23
TORSDOF 7