REMARK  Name = BDB013728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.404  -1.103   1.990  0.00  0.00    +0.106 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.443  -0.873   0.724  0.00  0.00    -0.028 A 
ATOM      3  C   LIG    1        0.868   0.435   0.419  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        1.602   0.707  -0.738  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        1.949  -0.335  -1.596  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        1.540  -1.636  -1.314  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.804  -1.905  -0.156  0.00  0.00    +0.009 A 
BRANCH   5   8
ATOM      8  O   LIG    1        2.637  -0.136  -2.771  0.00  0.00    -0.456 OA
BRANCH   8   9
ATOM      9  C   LIG    1        3.766   0.650  -2.719  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1        3.934   1.583  -3.743  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1        5.073   2.389  -3.770  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.049   2.250  -2.782  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1        5.891   1.301  -1.771  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        4.753   0.493  -1.742  0.00  0.00    +0.046 A 
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  15
ATOM     15  N   LIG    1        0.430  -1.451   3.170  0.00  0.00    -0.300 NA
ATOM     16  C   LIG    1       -0.328  -1.441   4.418  0.00  0.00    +0.105 C 
ATOM     17  C   LIG    1        1.253  -2.646   3.056  0.00  0.00    +0.105 C 
ENDBRANCH   1  15
BRANCH   1  19
ATOM     18  C   LIG    1       -1.788  -3.363   1.764  0.00  0.00    +0.030 C 
ATOM     19  C   LIG    1       -1.797  -1.835   1.759  0.00  0.00    +0.090 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.444  -1.397   0.514  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1       -2.008  -1.772  -0.333  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.859  -0.088   0.329  0.00  0.00    +0.166 A 
ATOM     23  C   LIG    1       -2.822   0.433  -1.062  0.00  0.00    +0.117 A 
ATOM     24  C   LIG    1       -3.180   1.740  -1.286  0.00  0.00    +0.070 A 
ATOM     25  C   LIG    1       -3.096   2.225  -2.591  0.00  0.00    +0.017 A 
ATOM     26  C   LIG    1       -2.649   1.377  -3.604  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -2.304   0.072  -3.275  0.00  0.00    +0.111 A 
ATOM     28  C   LIG    1       -3.614   2.566  -0.159  0.00  0.00    +0.276 A 
ATOM     29  O   LIG    1       -3.933   3.733  -0.371  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.629   1.954   1.092  0.00  0.00    -0.230 N 
ATOM     31  C   LIG    1       -4.031   2.704   2.268  0.00  0.00    +0.176 C 
ATOM     32  N   LIG    1       -2.381  -0.431  -2.024  0.00  0.00    -0.251 NA
ATOM     33  N   LIG    1       -3.241   0.655   1.328  0.00  0.00    -0.151 NA
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 7