REMARK  Name = BDB003227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.132  -0.223   1.141  0.00  0.00    +0.181 A 
ATOM      2  N   LIG    1       -1.502  -1.325   0.471  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -2.379  -1.168  -0.523  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -2.874   0.035  -0.862  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -2.490   1.135  -0.191  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -1.612   1.032   0.861  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.769  -2.290  -1.261  0.00  0.00    -0.306 N 
ATOM      8  C   LIG    1       -2.568  -3.557  -0.575  0.00  0.00    +0.132 C 
ATOM      9  C   LIG    1       -4.026  -2.126  -1.975  0.00  0.00    +0.132 C 
ENDBRANCH   3   7
BRANCH   5  10
ATOM     10  N   LIG    1       -3.026   2.394  -0.544  0.00  0.00    -0.321 N 
ATOM     11  C   LIG    1       -4.082   2.304  -1.554  0.00  0.00    +0.130 C 
ATOM     12  C   LIG    1       -2.002   3.399  -0.838  0.00  0.00    +0.130 C 
ENDBRANCH   5  10
BRANCH   1  14
ATOM     13  N   LIG    1        0.967  -0.650   1.968  0.00  0.00    -0.181 NA
ATOM     14  N   LIG    1       -0.240  -0.402   2.213  0.00  0.00    -0.134 NA
BRANCH  13  15
ATOM     15  C   LIG    1        1.476  -0.789   0.592  0.00  0.00    +0.205 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.755   0.349   0.453  0.00  0.00    +0.125 A 
ATOM     17  C   LIG    1        2.991  -0.826   0.583  0.00  0.00    +0.017 A 
ATOM     18  C   LIG    1        3.643  -2.059   0.757  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        5.034  -2.131   0.775  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.787  -0.971   0.627  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        5.152   0.264   0.468  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1        3.786   2.729   0.324  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1        3.048   1.514   0.307  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   1  14
TORSDOF 6