REMARK  Name = BDB049296
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.388  -1.464  -0.566  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1        0.838  -0.815  -0.344  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        2.034  -1.519  -0.578  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.917  -2.835  -1.009  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        3.175  -3.345  -1.162  0.00  0.00    -0.345 N 
ATOM      6  H   LIG    1        3.360  -4.288  -1.470  0.00  0.00    +0.167 HD
ATOM      7  C   LIG    1        4.107  -2.392  -0.839  0.00  0.00    +0.093 A 
ATOM      8  N   LIG    1        0.787  -3.525  -1.245  0.00  0.00    -0.237 NA
ATOM      9  C   LIG    1        3.433  -1.240  -0.473  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -0.331  -2.791  -1.009  0.00  0.00    +0.121 A 
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -4.148   0.538   0.091  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -3.154   1.125  -0.699  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1       -1.931   0.475  -0.911  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1       -1.670  -0.780  -0.341  0.00  0.00    -0.016 A 
ATOM     15  C   LIG    1       -2.674  -1.357   0.451  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -3.898  -0.707   0.664  0.00  0.00    +0.024 A 
BRANCH  11  19
ATOM     17  C   LIG    1       -7.563   1.913   0.917  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1       -6.469   0.875   0.971  0.00  0.00    +0.214 C 
ATOM     19  N   LIG    1       -5.349   1.258   0.256  0.00  0.00    -0.286 N 
ATOM     20  H   LIG    1       -5.395   2.154  -0.214  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1       -6.635  -0.177   1.578  0.00  0.00    -0.276 OA
ENDBRANCH  11  19
ENDBRANCH   1  14
BRANCH   9  22
ATOM     22  C   LIG    1        4.112  -0.014  -0.087  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        3.750   1.205  -0.674  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        4.396   2.386  -0.302  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        5.402   2.348   0.656  0.00  0.00    +0.117 A 
ATOM     26  C   LIG    1        5.776   1.147   1.250  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1        5.130  -0.035   0.876  0.00  0.00    +0.012 A 
BRANCH  25  28
ATOM     28  O   LIG    1        6.004   3.524   0.991  0.00  0.00    -0.507 OA
ATOM     29  H   LIG    1        6.679   3.345   1.666  0.00  0.00    +0.292 HD
ENDBRANCH  25  28
ENDBRANCH   9  22
TORSDOF 4