REMARK  Name = BDB052920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.330   0.001   0.134  0.00  0.00    +0.105 A 
ATOM      2  C   LIG    1       -1.404   0.901   0.390  0.00  0.00    +0.107 A 
ATOM      3  N   LIG    1       -2.589   0.309   0.173  0.00  0.00    -0.166 NA
ATOM      4  N   LIG    1       -2.313  -0.964  -0.181  0.00  0.00    -0.238 N 
ATOM      5  C   LIG    1       -0.958  -1.183  -0.218  0.00  0.00    +0.130 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.373   2.300   0.815  0.00  0.00    +0.003 A 
ATOM      7  C   LIG    1       -2.148   3.252   0.135  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -2.142   4.590   0.535  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.367   4.988   1.623  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -0.604   4.049   2.314  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -0.611   2.709   1.916  0.00  0.00    +0.010 A 
ENDBRANCH   2   6
BRANCH   4  12
ATOM     12  C   LIG    1       -3.360  -1.886  -0.467  0.00  0.00    +0.065 A 
ATOM     13  C   LIG    1       -3.085  -3.209  -0.842  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1       -4.135  -4.091  -1.117  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -5.457  -3.662  -1.019  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.738  -2.350  -0.645  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1       -4.695  -1.463  -0.370  0.00  0.00    +0.028 A 
ENDBRANCH   4  12
BRANCH   1  19
ATOM     18  O   LIG    1        1.624   1.296   0.466  0.00  0.00    -0.244 OA
ATOM     19  C   LIG    1        1.106   0.222   0.189  0.00  0.00    +0.348 C 
BRANCH  19  20
ATOM     20  O   LIG    1        1.816  -0.943  -0.115  0.00  0.00    -0.422 OA
BRANCH  20  21
ATOM     21  C   LIG    1        3.203  -0.780  -0.084  0.00  0.00    +0.132 A 
ATOM     22  C   LIG    1        3.863  -0.286  -1.209  0.00  0.00    +0.048 A 
ATOM     23  C   LIG    1        5.253  -0.160  -1.184  0.00  0.00    +0.036 A 
ATOM     24  C   LIG    1        5.962  -0.544  -0.035  0.00  0.00    +0.126 A 
ATOM     25  C   LIG    1        5.289  -1.059   1.085  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        3.899  -1.183   1.055  0.00  0.00    +0.048 A 
BRANCH  24  27
ATOM     27  N   LIG    1        7.425  -0.414  -0.007  0.00  0.00    +0.056 N 
ATOM     28  O   LIG    1        8.014  -0.756   1.029  0.00  0.00    -0.126 OA
ATOM     29  O   LIG    1        7.985   0.024  -1.022  0.00  0.00    -0.126 OA
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 6