REMARK  Name = BDB045381
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.021  -0.338  -0.059  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -3.129   0.333  -0.906  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -1.740   0.254  -0.730  0.00  0.00    +0.141 A 
ATOM      4  C   LIG    1       -1.154  -0.486   0.286  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        0.317  -0.518   0.404  0.00  0.00    -0.025 A 
ATOM      6  C   LIG    1        1.054   0.181  -0.489  0.00  0.00    +0.070 A 
ATOM      7  C   LIG    1        0.421   0.977  -1.583  0.00  0.00    +0.345 A 
ATOM      8  O   LIG    1        1.085   1.613  -2.397  0.00  0.00    -0.244 OA
ATOM      9  C   LIG    1        0.899  -1.340   1.530  0.00  0.00    +0.045 C 
ATOM     10  C   LIG    1       -2.025  -1.161   1.142  0.00  0.00    +0.013 A 
ATOM     11  O   LIG    1       -0.961   0.973  -1.650  0.00  0.00    -0.422 OA
ATOM     12  C   LIG    1       -3.420  -1.085   0.969  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        2.528   0.185  -0.419  0.00  0.00    -0.011 A 
ATOM     14  C   LIG    1        3.201   1.144   0.339  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        4.601   1.139   0.411  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        5.375   0.182  -0.267  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        4.676  -0.771  -1.027  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        3.275  -0.773  -1.104  0.00  0.00    +0.010 A 
BRANCH  16  19
ATOM     19  N   LIG    1        6.803   0.182  -0.193  0.00  0.00    -0.203 N 
ATOM     20  C   LIG    1        7.637  -0.711  -0.816  0.00  0.00    +0.250 C 
ATOM     21  O   LIG    1        7.411  -1.675  -1.529  0.00  0.00    -0.270 OA
ATOM     22  C   LIG    1        9.018  -0.344  -0.485  0.00  0.00    +0.073 C 
ATOM     23  C   LIG    1        8.976   0.717   0.313  0.00  0.00    +0.073 C 
ATOM     24  C   LIG    1        7.567   1.068   0.522  0.00  0.00    +0.250 C 
ATOM     25  O   LIG    1        7.268   2.007   1.240  0.00  0.00    -0.270 OA
ENDBRANCH  16  19
ENDBRANCH   6  13
BRANCH   1  26
ATOM     26  N   LIG    1       -5.400  -0.270  -0.221  0.00  0.00    -0.330 N 
BRANCH  26  28
ATOM     27  C   LIG    1       -5.985   2.122  -0.514  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1       -6.032   0.720  -1.108  0.00  0.00    +0.102 C 
ENDBRANCH  26  28
BRANCH  26  29
ATOM     29  C   LIG    1       -6.304  -1.210   0.457  0.00  0.00    +0.102 C 
ATOM     30  C   LIG    1       -6.812  -0.640   1.772  0.00  0.00    +0.024 C 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 5