REMARK  Name = BDB005647
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.008   0.351   0.645  0.00  0.00    +0.132 A 
ATOM      2  C   LIG    1       -0.679  -0.883   0.683  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        0.096  -2.058   0.746  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -0.523  -3.313   0.720  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.028  -4.159   0.740  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1       -1.871  -3.496   0.621  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1       -2.713  -2.275   0.605  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -4.206  -2.477   0.558  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1       -4.999  -1.213   0.915  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -4.372   0.027   0.288  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1       -2.974   0.079   0.664  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1       -2.476   0.950   0.472  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1       -2.354  -4.623   0.555  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1        1.493  -2.019   0.814  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1        2.163  -0.794   0.818  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1       -2.162  -1.044   0.645  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        1.408   0.385   0.745  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  18
ATOM     18  O   LIG    1       -0.731   1.509   0.541  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -0.120   2.569  -0.204  0.00  0.00    +0.229 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -0.684   4.679  -1.463  0.00  0.00    +0.007 C 
ATOM     21  C   LIG    1       -1.224   3.531  -0.629  0.00  0.00    +0.038 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
BRANCH  15  22
ATOM     22  C   LIG    1        3.673  -0.740   0.931  0.00  0.00    +0.119 C 
BRANCH  22  23
ATOM     23  N   LIG    1        4.309   0.107  -0.094  0.00  0.00    -0.304 NA
ATOM     24  C   LIG    1        4.193  -0.488  -1.429  0.00  0.00    +0.104 C 
ATOM     25  C   LIG    1        5.721   0.314   0.235  0.00  0.00    +0.104 C 
ENDBRANCH  22  23
ENDBRANCH  15  22
TORSDOF 5