REMARK  Name = BDB048172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.823   3.319   0.733  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1       -0.595   2.652   0.635  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.556   1.325   0.201  0.00  0.00    +0.056 A 
ATOM      4  C   LIG    1       -1.750   0.643  -0.145  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.970   1.321  -0.040  0.00  0.00    +0.026 A 
ATOM      6  C   LIG    1       -3.006   2.648   0.394  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.661  -0.713  -0.551  0.00  0.00    -0.326 N 
ATOM      8  C   LIG    1       -1.986  -1.629   0.573  0.00  0.00    +0.120 C 
ATOM      9  C   LIG    1       -2.147  -3.078   0.062  0.00  0.00    +0.103 C 
ATOM     10  N   LIG    1       -3.198  -3.264  -0.964  0.00  0.00    -0.302 NA
ATOM     11  C   LIG    1       -4.386  -3.914  -0.417  0.00  0.00    +0.105 C 
ATOM     12  C   LIG    1       -3.557  -1.985  -1.616  0.00  0.00    +0.103 C 
ATOM     13  C   LIG    1       -2.352  -1.040  -1.824  0.00  0.00    +0.120 C 
ENDBRANCH   4   7
BRANCH   3  14
ATOM     14  N   LIG    1        0.631   0.578   0.048  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.441  -0.358  -0.302  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        1.920   0.935   0.369  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        2.272   1.971   0.921  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        2.955  -0.083   0.030  0.00  0.00    +0.040 A 
ATOM     19  C   LIG    1        4.082  -0.191   0.854  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        5.079  -1.131   0.579  0.00  0.00    +0.121 A 
ATOM     21  C   LIG    1        4.948  -1.962  -0.535  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        3.834  -1.847  -1.372  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        2.839  -0.909  -1.095  0.00  0.00    +0.013 A 
BRANCH  20  24
ATOM     24  O   LIG    1        6.117  -1.139   1.469  0.00  0.00    -0.495 OA
ATOM     25  C   LIG    1        7.184  -2.042   1.209  0.00  0.00    +0.277 C 
ENDBRANCH  20  24
ENDBRANCH  16  18
ENDBRANCH   3  14
BRANCH   1  26
ATOM     26  C   LIG    1       -1.932   4.733   1.188  0.00  0.00    +0.339 C 
ATOM     27  O   LIG    1       -2.997   5.323   1.293  0.00  0.00    -0.245 OA
BRANCH  26  29
ATOM     28  C   LIG    1       -0.734   6.607   1.902  0.00  0.00    +0.280 C 
ATOM     29  O   LIG    1       -0.710   5.251   1.457  0.00  0.00    -0.464 OA
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 6