REMARK  Name = BDB021430
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.480   0.331   2.124  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.133  -0.562   1.534  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.472  -1.793   1.308  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.198  -2.904   0.653  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        1.504  -3.204   1.362  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.581  -2.503   0.765  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.542  -1.140   0.709  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        3.769  -0.631   0.232  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1        4.011   0.740   0.078  0.00  0.00    -0.041 A 
ATOM     10  C   LIG    1        2.987   1.621   0.414  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        1.764   1.132   0.881  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.511  -0.251   1.033  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   9  13
ATOM     13  C   LIG    1        5.338   1.271  -0.430  0.00  0.00    +0.023 C 
ATOM     14  C   LIG    1        5.643   0.803  -1.861  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1        7.007   1.318  -2.304  0.00  0.00    +0.160 C 
ATOM     16  O   LIG    1        8.023   0.904  -1.392  0.00  0.00    -0.380 OA
ATOM     17  C   LIG    1        7.818   1.422  -0.078  0.00  0.00    +0.160 C 
ATOM     18  C   LIG    1        6.505   0.915   0.503  0.00  0.00    +0.036 C 
ENDBRANCH   9  13
BRANCH   3  19
ATOM     19  C   LIG    1       -1.855  -1.987   1.761  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.923  -1.233   0.937  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.186  -1.493   1.566  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1       -4.688  -0.658   1.522  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1       -2.948  -1.714  -0.534  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -3.752  -1.013  -1.546  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1       -5.191  -0.939  -1.295  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1       -5.657   0.307  -0.572  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -4.858   1.463  -0.519  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1       -5.326   2.599   0.156  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -6.586   2.598   0.754  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -7.388   1.462   0.684  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -3.482   1.474  -1.133  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1       -6.928   0.324   0.022  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1       -3.212   0.258  -2.027  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   3  19
TORSDOF 6