REMARK  Name = BDB029585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.940   2.198   1.610  0.00  0.00    -0.267 OA
ATOM      2  C   LIG    1        0.946   0.967   1.621  0.00  0.00    +0.259 A 
ATOM      3  N   LIG    1        0.026   0.206   2.349  0.00  0.00    -0.312 N 
ATOM      4  C   LIG    1        0.046  -1.177   2.341  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.939  -1.879   1.635  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1        1.938  -1.175   0.837  0.00  0.00    -0.011 A 
ATOM      7  C   LIG    1        2.883  -1.871   0.082  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1        3.830  -1.171  -0.677  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        3.850   0.229  -0.704  0.00  0.00    +0.032 A 
ATOM     10  C   LIG    1        2.900   0.919   0.058  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        1.952   0.222   0.820  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        4.806   0.963  -1.427  0.00  0.00    -0.313 N 
ATOM     13  H   LIG    1        4.514   1.911  -1.651  0.00  0.00    +0.152 HD
BRANCH  12  14
ATOM     14  C   LIG    1        6.129   0.669  -1.799  0.00  0.00    +0.053 A 
ATOM     15  C   LIG    1        6.706   1.292  -2.902  0.00  0.00    +0.158 A 
ATOM     16  N   LIG    1        7.959   1.037  -3.345  0.00  0.00    -0.156 NA
ATOM     17  N   LIG    1        8.712   0.119  -2.696  0.00  0.00    -0.158 NA
ATOM     18  C   LIG    1        8.194  -0.518  -1.627  0.00  0.00    +0.137 A 
ATOM     19  C   LIG    1        6.915  -0.279  -1.155  0.00  0.00    +0.046 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   3  20
ATOM     20  C   LIG    1       -0.980   0.906   3.156  0.00  0.00    +0.157 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.154   1.552   2.380  0.00  0.00    +0.148 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -1.749   2.351   1.266  0.00  0.00    -0.389 OA
ATOM     23  H   LIG    1       -0.817   2.618   1.411  0.00  0.00    +0.210 HD
ENDBRANCH  21  22
BRANCH  21  24
ATOM     24  C   LIG    1       -3.298   0.581   1.985  0.00  0.00    +0.117 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -2.923  -0.650   1.262  0.00  0.00    -0.295 NA
ATOM     26  C   LIG    1       -2.473  -0.389  -0.120  0.00  0.00    +0.120 C 
ATOM     27  C   LIG    1       -3.579  -0.102  -1.115  0.00  0.00    -0.030 A 
ATOM     28  C   LIG    1       -4.896  -0.537  -0.879  0.00  0.00    -0.042 A 
ATOM     29  C   LIG    1       -5.891  -0.297  -1.837  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -5.577   0.352  -3.031  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.271   0.772  -3.273  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -5.253  -1.194   0.429  0.00  0.00    +0.051 C 
ATOM     33  C   LIG    1       -3.276   0.544  -2.322  0.00  0.00    +0.005 A 
ATOM     34  C   LIG    1       -4.018  -1.635   1.228  0.00  0.00    +0.089 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 7