REMARK  Name = BDB029558
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.011   0.925   1.777  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        2.077   1.063   0.559  0.00  0.00    +0.247 C 
ATOM      3  N   LIG    1        0.994   1.435  -0.243  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        1.108   1.373  -1.695  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1        2.436   1.935  -2.186  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1        3.571   1.281  -1.451  0.00  0.00    -0.034 A 
ATOM      7  C   LIG    1        4.824   1.126  -2.050  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        5.878   0.546  -1.336  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1        5.715   0.117  -0.006  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1        4.453   0.293   0.587  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1        3.390   0.871  -0.124  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        6.827  -0.486   0.738  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        7.162  -0.124   2.034  0.00  0.00    +0.122 A 
ATOM     14  N   LIG    1        8.183  -0.656   2.742  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        8.897  -1.599   2.111  0.00  0.00    +0.221 A 
ATOM     16  N   LIG    1        8.684  -2.043   0.865  0.00  0.00    -0.243 NA
ATOM     17  C   LIG    1        7.646  -1.473   0.212  0.00  0.00    +0.122 A 
ENDBRANCH   9  12
BRANCH   3  18
ATOM     18  C   LIG    1       -0.347   1.425   0.348  0.00  0.00    +0.140 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.184   0.178  -0.006  0.00  0.00    +0.146 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -0.487  -1.027   0.335  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -1.187  -1.689   0.506  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.537   0.205   0.744  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -3.317  -1.036   0.525  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.439  -1.131   1.483  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.755  -0.604   0.964  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.132  -0.967  -0.340  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.376  -0.588  -0.846  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.240   0.169  -0.054  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.867   0.537   1.240  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -5.135  -1.773  -1.129  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -6.629   0.146   1.754  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -3.734  -1.182  -0.891  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 6