REMARK  Name = BDB002113
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.033  -0.665   0.932  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1        0.167  -2.154   1.081  0.00  0.00    +0.210 C 
ATOM      3  O   LIG    1        1.226  -2.702   1.372  0.00  0.00    -0.285 OA
ATOM      4  C   LIG    1       -1.031  -2.987   0.881  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1       -2.271  -2.406   0.650  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -3.400  -3.219   0.468  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.283  -4.609   0.518  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -2.040  -5.192   0.751  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.416  -0.944   0.597  0.00  0.00    +0.210 C 
ATOM     10  O   LIG    1       -3.524  -0.451   0.401  0.00  0.00    -0.285 OA
ATOM     11  C   LIG    1       -0.916  -4.385   0.933  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -1.183  -0.097   0.762  0.00  0.00    +0.103 C 
ENDROOT
BRANCH  12  13
ATOM     13  N   LIG    1       -1.324   1.314   0.686  0.00  0.00    -0.325 N 
ATOM     14  C   LIG    1       -1.184   1.935  -0.650  0.00  0.00    +0.105 C 
ATOM     15  C   LIG    1       -1.242   3.453  -0.543  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -2.588   3.924   0.006  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -3.274   2.861   0.862  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -2.261   1.999   1.607  0.00  0.00    +0.105 C 
ENDBRANCH  12  13
BRANCH   1  19
ATOM     19  N   LIG    1        1.165   0.139   1.109  0.00  0.00    -0.310 N 
ATOM     20  H   LIG    1        0.858   1.107   1.240  0.00  0.00    +0.152 HD
BRANCH  19  25
ATOM     21  C   LIG    1        6.027   0.259  -1.957  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1        4.738   0.235  -1.190  0.00  0.00    -0.050 A 
ATOM     23  C   LIG    1        4.512   1.139  -0.151  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1        3.324   1.086   0.585  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1        2.331   0.136   0.302  0.00  0.00    +0.031 A 
ATOM     26  C   LIG    1        2.584  -0.788  -0.716  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        3.772  -0.740  -1.456  0.00  0.00    +0.005 A 
ENDBRANCH  19  25
ENDBRANCH   1  19
TORSDOF 3