REMARK  Name = BDB013858
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.369   1.792  -0.605  0.00  0.00    +0.140 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.529   0.935  -1.528  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -0.871   0.885  -1.413  0.00  0.00    +0.133 A 
ATOM      4  C   LIG    1       -1.633   0.136  -2.321  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1       -1.007  -0.598  -3.326  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1        0.379  -0.568  -3.445  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        1.140   0.200  -2.562  0.00  0.00    +0.009 A 
BRANCH   3   8
ATOM      8  O   LIG    1       -1.472   1.665  -0.446  0.00  0.00    -0.456 OA
BRANCH   8   9
ATOM      9  C   LIG    1       -2.514   1.120   0.269  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -2.457  -0.150   0.846  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -3.535  -0.619   1.598  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -4.661   0.183   1.780  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.709   1.460   1.219  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -3.631   1.932   0.470  0.00  0.00    +0.046 A 
ENDBRANCH   8   9
ENDBRANCH   3   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  N   LIG    1        2.468   1.049   0.018  0.00  0.00    -0.338 N 
ATOM     16  H   LIG    1        3.158   0.739  -0.673  0.00  0.00    +0.146 HD
BRANCH  15  18
ATOM     17  C   LIG    1        3.050  -1.097   1.079  0.00  0.00    +0.082 A 
ATOM     18  C   LIG    1        2.195   0.013   0.925  0.00  0.00    +0.060 A 
ATOM     19  C   LIG    1        1.134   0.070   1.834  0.00  0.00    +0.134 A 
ATOM     20  N   LIG    1        0.846  -0.864   2.776  0.00  0.00    -0.261 NA
ATOM     21  C   LIG    1        1.679  -1.913   2.865  0.00  0.00    +0.111 A 
ATOM     22  C   LIG    1        2.785  -2.070   2.055  0.00  0.00    +0.036 A 
BRANCH  17  24
ATOM     23  O   LIG    1        5.117  -2.179   0.491  0.00  0.00    -0.245 OA
ATOM     24  C   LIG    1        4.260  -1.347   0.251  0.00  0.00    +0.339 C 
BRANCH  24  25
ATOM     25  O   LIG    1        4.345  -0.592  -0.863  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        5.185  -0.901  -1.268  0.00  0.00    +0.295 HD
ENDBRANCH  24  25
ENDBRANCH  17  24
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 7