REMARK  Name = BDB021439
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.857  -0.979   0.462  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -2.952  -0.313   1.297  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.613  -0.733   1.444  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1       -0.946   0.089   2.307  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1        0.434  -0.126   2.563  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1        0.705  -1.551   3.008  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1        1.027  -2.374   1.854  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.197  -2.469   0.745  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.560  -3.081  -0.262  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1       -1.169  -1.860   0.741  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -2.088  -2.524  -0.103  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1       -3.410  -2.096  -0.240  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1       -5.287  -0.501   0.328  0.00  0.00    +0.119 C 
BRANCH  13  19
ATOM     14  C   LIG    1       -8.944   1.875  -1.272  0.00  0.00    +0.039 C 
ATOM     15  C   LIG    1       -7.443   1.653  -1.145  0.00  0.00    +0.129 C 
ATOM     16  O   LIG    1       -6.808   2.389  -2.205  0.00  0.00    -0.374 OA
ATOM     17  C   LIG    1       -5.570   1.806  -2.637  0.00  0.00    +0.175 C 
ATOM     18  C   LIG    1       -4.853   1.039  -1.517  0.00  0.00    +0.113 C 
ATOM     19  N   LIG    1       -5.645  -0.121  -1.047  0.00  0.00    -0.294 NA
ATOM     20  C   LIG    1       -7.094   0.149  -1.179  0.00  0.00    +0.116 C 
ENDBRANCH  13  19
ENDBRANCH   1  13
BRANCH   7  21
ATOM     21  C   LIG    1        2.369  -2.970   1.794  0.00  0.00    +0.140 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.499  -2.003   1.367  0.00  0.00    +0.146 C 
BRANCH  22  23
ATOM     23  O   LIG    1        3.608  -0.943   2.327  0.00  0.00    -0.389 OA
ATOM     24  H   LIG    1        4.447  -0.490   2.135  0.00  0.00    +0.210 HD
ENDBRANCH  22  23
BRANCH  22  25
ATOM     25  C   LIG    1        3.315  -1.458  -0.072  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  N   LIG    1        4.370  -0.593  -0.634  0.00  0.00    -0.295 NA
ATOM     27  C   LIG    1        4.193   0.830  -0.324  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1        5.308   1.718  -0.840  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1        6.525   1.178  -1.292  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        7.541   2.030  -1.746  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.361   3.413  -1.727  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        6.165   3.954  -1.264  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.707  -0.317  -1.351  0.00  0.00    +0.051 C 
ATOM     34  C   LIG    1        5.144   3.112  -0.822  0.00  0.00    +0.005 A 
ATOM     35  C   LIG    1        5.737  -1.057  -0.421  0.00  0.00    +0.089 C 
ENDBRANCH  25  26
ENDBRANCH  22  25
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7