REMARK  Name = BDB007943
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.167   0.123   1.245  0.00  0.00    +0.180 C 
ENDROOT
BRANCH   1   5
ATOM      2  C   LIG    1       -3.118   0.402  -1.421  0.00  0.00    +0.063 C 
ATOM      3  C   LIG    1       -3.437   0.272   0.068  0.00  0.00    +0.027 C 
ATOM      4  C   LIG    1       -2.211  -0.281   0.790  0.00  0.00    +0.085 C 
ATOM      5  N   LIG    1       -1.103   0.667   0.744  0.00  0.00    -0.294 NA
ATOM      6  C   LIG    1       -0.981   1.481  -0.465  0.00  0.00    +0.085 C 
ATOM      7  C   LIG    1       -1.724   0.975  -1.705  0.00  0.00    +0.027 C 
BRANCH   2   8
ATOM      8  C   LIG    1       -4.228   1.022  -2.271  0.00  0.00    +0.166 C 
ATOM      9  O   LIG    1       -4.616   0.432  -3.283  0.00  0.00    -0.292 OA
BRANCH   8  13
ATOM     10  C   LIG    1       -6.199   4.764  -1.418  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1       -6.782   3.806  -2.248  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -6.128   2.598  -2.508  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -4.877   2.325  -1.937  0.00  0.00    +0.018 A 
ATOM     14  C   LIG    1       -4.292   3.292  -1.119  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1       -4.950   4.503  -0.857  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.429   6.871  -0.338  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1       -6.935   5.904  -1.249  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   8  13
ENDBRANCH   2   8
ENDBRANCH   1   5
BRANCH   1  18
ATOM     18  C   LIG    1        0.771  -0.948   0.329  0.00  0.00    +0.227 C 
ATOM     19  N   LIG    1        0.882  -2.197   0.899  0.00  0.00    -0.307 N 
ATOM     20  H   LIG    1        0.827  -2.279   1.907  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        1.154  -0.725  -0.819  0.00  0.00    -0.274 OA
BRANCH  19  22
ATOM     22  C   LIG    1        1.541  -3.284   0.193  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.042  -3.120   0.373  0.00  0.00    +0.127 A 
ATOM     24  N   LIG    1        3.629  -2.153  -0.396  0.00  0.00    -0.309 N 
ATOM     25  H   LIG    1        3.044  -1.523  -0.942  0.00  0.00    +0.170 HD
ATOM     26  C   LIG    1        4.913  -1.757  -0.183  0.00  0.00    +0.255 A 
ATOM     27  O   LIG    1        5.376  -0.730  -0.663  0.00  0.00    -0.268 OA
ATOM     28  C   LIG    1        5.700  -2.633   0.712  0.00  0.00    +0.038 A 
ATOM     29  C   LIG    1        7.172  -2.374   0.837  0.00  0.00    +0.042 C 
ATOM     30  C   LIG    1        7.917  -3.510   1.544  0.00  0.00    +0.005 C 
ATOM     31  C   LIG    1        7.131  -4.005   2.752  0.00  0.00    +0.006 C 
ATOM     32  C   LIG    1        5.756  -4.525   2.326  0.00  0.00    +0.056 C 
ATOM     33  C   LIG    1        5.037  -3.606   1.363  0.00  0.00    +0.052 A 
ATOM     34  N   LIG    1        3.686  -3.833   1.242  0.00  0.00    -0.237 NA
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   1  18
TORSDOF 7