REMARK  Name = BDB029554
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.056  -0.056   1.344  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        3.906   0.303   0.634  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.631   0.146   1.199  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        1.430   0.576   0.422  0.00  0.00    +0.247 C 
ATOM      5  N   LIG    1        0.184   0.192   0.923  0.00  0.00    -0.295 N 
ATOM      6  C   LIG    1        0.096  -0.784   1.999  0.00  0.00    +0.113 C 
ATOM      7  C   LIG    1        1.122  -0.515   3.094  0.00  0.00    +0.055 C 
ATOM      8  O   LIG    1        1.581   1.259  -0.587  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        2.490  -0.388   2.488  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1        3.633  -0.742   3.209  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        4.898  -0.585   2.635  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1  12
ATOM     12  N   LIG    1        6.360   0.024   0.806  0.00  0.00    -0.312 N 
ATOM     13  H   LIG    1        7.053   0.145   1.539  0.00  0.00    +0.152 HD
BRANCH  12  18
ATOM     14  C   LIG    1        9.237   0.602  -3.059  0.00  0.00    +0.172 C 
ATOM     15  N   LIG    1        8.114   0.315  -2.201  0.00  0.00    -0.273 N 
ATOM     16  N   LIG    1        6.962  -0.116  -2.744  0.00  0.00    -0.178 NA
ATOM     17  C   LIG    1        6.157  -0.268  -1.686  0.00  0.00    +0.157 A 
ATOM     18  C   LIG    1        6.795   0.067  -0.474  0.00  0.00    +0.069 A 
ATOM     19  C   LIG    1        8.072   0.420  -0.840  0.00  0.00    +0.131 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   5  20
ATOM     20  C   LIG    1       -1.010   0.421   0.098  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -1.458  -0.819  -0.708  0.00  0.00    +0.146 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -0.394  -1.273  -1.555  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.696  -2.070  -2.021  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -2.693  -0.499  -1.581  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -3.897  -0.117  -0.822  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -4.867   0.541  -1.724  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -6.203   0.838  -1.075  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -6.613   0.152   0.081  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -7.867   0.423   0.645  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -8.721   1.350   0.049  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -8.327   2.017  -1.108  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.676  -0.821   0.747  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -7.075   1.761  -1.670  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.540  -1.276  -0.181  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7