REMARK  Name = BDB058602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.299   0.347  -0.570  0.00  0.00    -0.006 A 
ATOM      2  C   LIG    1        1.578   0.010  -0.175  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1        2.465   0.461  -1.137  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1        1.777   1.084  -2.144  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1        0.496   1.008  -1.795  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.904   0.368  -1.208  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1        4.671  -0.255  -0.213  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1        6.061  -0.263  -0.430  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1        6.923  -0.903   0.581  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1        6.279  -1.442   1.659  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1        6.862  -1.883   2.357  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1        4.928  -1.396   1.801  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1        8.142  -0.951   0.464  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1        6.650   0.308  -1.556  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        5.814   0.894  -2.472  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1        4.131  -0.850   0.950  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1        4.479   0.933  -2.322  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  21
ATOM     18  N   LIG    1       -3.927   0.173   0.445  0.00  0.00    -0.300 NA
ATOM     19  C   LIG    1       -3.233  -1.077   0.080  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -1.923  -0.824  -0.667  0.00  0.00    +0.023 C 
ATOM     21  C   LIG    1       -0.986   0.066   0.149  0.00  0.00    +0.024 C 
ATOM     22  C   LIG    1       -1.723   1.348   0.538  0.00  0.00    +0.023 C 
ATOM     23  C   LIG    1       -3.038   1.033   1.251  0.00  0.00    +0.085 C 
BRANCH  18  25
ATOM     24  C   LIG    1       -5.972   1.204   1.488  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -5.219  -0.092   1.137  0.00  0.00    +0.050 C 
ATOM     26  C   LIG    1       -6.171  -0.955   0.290  0.00  0.00    +0.024 C 
ENDBRANCH  18  25
ENDBRANCH   1  21
TORSDOF 3