REMARK  Name = BDB053951
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.117  -0.435  -0.474  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1        0.003  -0.858   0.277  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1       -1.205  -0.125   0.240  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1       -1.246   1.021  -0.556  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1       -2.502   1.564  -0.436  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -2.809   2.402  -0.908  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -3.282   0.813   0.406  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1       -4.613   0.991   0.812  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1       -5.595   2.080   0.476  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1       -6.920   1.427   0.893  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1       -6.595   0.457   2.039  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1       -5.190   0.075   1.704  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1       -4.436  -0.970   2.165  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1       -4.759  -2.046   3.099  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1       -5.819  -2.199   3.672  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1       -3.642  -2.813   3.192  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1       -3.569  -3.630   3.776  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1       -2.619  -2.343   2.425  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1       -1.513  -2.832   2.329  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1       -3.118  -1.147   1.751  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -0.155   1.466  -1.309  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1       -2.493  -0.262   0.857  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        1.026   0.720  -1.255  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  25
ATOM     24  O   LIG    1        2.422  -2.228   0.352  0.00  0.00    -0.291 OA
ATOM     25  C   LIG    1        2.369  -1.256  -0.403  0.00  0.00    +0.177 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.570  -0.889  -1.274  0.00  0.00    +0.164 C 
BRANCH  26  27
ATOM     27  N   LIG    1        4.281   0.294  -0.727  0.00  0.00    -0.283 NA
ATOM     28  C   LIG    1        5.420   0.752  -1.577  0.00  0.00    +0.166 C 
ATOM     29  C   LIG    1        6.548  -0.226  -1.258  0.00  0.00    +0.031 C 
ATOM     30  C   LIG    1        6.267  -0.700   0.163  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        4.948  -0.041   0.548  0.00  0.00    +0.086 C 
BRANCH  28  32
ATOM     32  C   LIG    1        5.093   0.943  -3.067  0.00  0.00    +0.322 C 
ATOM     33  O   LIG    1        3.976   1.143  -3.526  0.00  0.00    -0.249 OA
BRANCH  32  34
ATOM     34  O   LIG    1        6.183   0.957  -3.874  0.00  0.00    -0.480 OA
ATOM     35  H   LIG    1        7.041   0.860  -3.422  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  28  32
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 5