REMARK  Name = BDB029555
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.753  -1.250   1.539  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        3.805  -0.827   0.603  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.481  -0.559   0.982  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        1.499  -0.130  -0.056  0.00  0.00    +0.247 C 
ATOM      5  N   LIG    1        0.236   0.277   0.382  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        0.035   0.585   1.794  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        0.655  -0.469   2.704  0.00  0.00    +0.055 C 
ATOM      8  O   LIG    1        1.813  -0.153  -1.243  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.085  -0.710   2.318  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1        3.021  -1.141   3.261  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.340  -1.395   2.874  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        6.112  -1.476   1.226  0.00  0.00    -0.312 N 
ATOM     13  H   LIG    1        6.528  -2.140   1.874  0.00  0.00    +0.152 HD
BRANCH  12  18
ATOM     14  C   LIG    1        7.968   0.834  -2.664  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        7.739  -0.051  -1.549  0.00  0.00    -0.273 N 
ATOM     16  N   LIG    1        8.657  -0.990  -1.248  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        8.126  -1.609  -0.190  0.00  0.00    +0.157 A 
ATOM     18  C   LIG    1        6.872  -1.075   0.180  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        6.663  -0.049  -0.708  0.00  0.00    +0.131 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -0.689   0.895  -0.584  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.224  -0.103  -1.637  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -0.332  -0.183  -2.759  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1        0.575  -0.266  -2.387  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.603   0.325  -2.187  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.682   0.413  -1.182  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.843   1.118  -1.766  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.060   1.136  -0.865  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.209   0.192   0.165  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.359   0.207   0.965  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.369   1.139   0.727  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.234   2.065  -0.305  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.104  -0.793   0.445  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.087   2.062  -1.100  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.110  -0.918  -0.719  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7