REMARK  Name = BDB056185
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.125  -2.319  -0.748  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -0.613  -1.989   0.594  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1        0.906  -1.690   0.578  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1        1.214  -0.602  -0.374  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        0.686  -0.880  -1.733  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.825  -1.215  -1.678  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        2.505  -0.054  -0.365  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        2.739   1.177  -1.001  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.004   1.774  -1.014  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        5.081   1.147  -0.388  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        4.870  -0.062   0.280  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.595  -0.648   0.289  0.00  0.00    +0.024 A 
BRANCH  10  13
ATOM     13  C   LIG    1        6.413   1.811  -0.426  0.00  0.00    +0.244 C 
ATOM     14  N   LIG    1        7.512   0.973  -0.370  0.00  0.00    -0.308 N 
ATOM     15  H   LIG    1        7.376  -0.024  -0.472  0.00  0.00    +0.149 HD
ATOM     16  O   LIG    1        6.489   3.030  -0.536  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        8.848   1.475  -0.443  0.00  0.00    +0.073 C 
ATOM     18  C   LIG    1       10.020   0.584  -0.132  0.00  0.00    +0.024 C 
ATOM     19  C   LIG    1        9.648   1.689   0.812  0.00  0.00    +0.024 C 
ENDBRANCH  14  17
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.525  -2.753  -0.765  0.00  0.00    +0.119 C 
BRANCH  20  32
ATOM     21  C   LIG    1       -5.141   0.043  -0.898  0.00  0.00    +0.164 A 
ATOM     22  C   LIG    1       -5.500   0.139   0.455  0.00  0.00    +0.184 A 
ATOM     23  O   LIG    1       -6.492   1.027   0.795  0.00  0.00    -0.474 OA
ATOM     24  C   LIG    1       -6.476   1.414   2.165  0.00  0.00    +0.256 C 
ATOM     25  C   LIG    1       -6.172   0.308   3.188  0.00  0.00    +0.258 C 
ATOM     26  N   LIG    1       -5.298  -0.647   2.739  0.00  0.00    -0.279 N 
ATOM     27  H   LIG    1       -4.990  -1.338   3.410  0.00  0.00    +0.155 HD
ATOM     28  O   LIG    1       -6.583   0.294   4.345  0.00  0.00    -0.271 OA
ATOM     29  C   LIG    1       -7.816   2.069   2.473  0.00  0.00    +0.062 C 
ATOM     30  C   LIG    1       -4.907  -0.707   1.400  0.00  0.00    +0.080 A 
ATOM     31  C   LIG    1       -3.955  -1.647   1.010  0.00  0.00    +0.032 A 
ATOM     32  C   LIG    1       -3.568  -1.742  -0.334  0.00  0.00    -0.028 A 
ATOM     33  C   LIG    1       -4.174  -0.894  -1.280  0.00  0.00    +0.054 A 
BRANCH  21  35
ATOM     34  C   LIG    1       -5.468   0.811  -3.136  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1       -5.782   0.901  -1.754  0.00  0.00    -0.491 OA
ENDBRANCH  21  35
ENDBRANCH  20  32
ENDBRANCH   1  20
TORSDOF 6