REMARK  Name = BDB052996
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.313  -0.678   0.495  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1       -0.035  -1.924  -0.043  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1        1.073  -2.456   0.009  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1       -1.151  -2.612  -0.710  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1       -2.405  -2.011  -0.753  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1       -3.448  -2.663  -1.430  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1       -3.232  -3.907  -2.032  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.977  -4.508  -1.970  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -2.567  -0.686  -0.080  0.00  0.00    +0.152 A 
ATOM     10  C   LIG    1       -0.934  -3.860  -1.312  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1       -1.550  -0.095   0.491  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -3.821  -0.079  -0.052  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1       -4.604  -0.633  -0.370  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -4.137   1.160   0.410  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1       -3.191   2.050   0.847  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1       -2.187   1.894   0.875  0.00  0.00    +0.190 HD
ATOM     17  N   LIG    1       -3.704   3.219   1.276  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1       -5.021   3.077   1.084  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1       -5.946   4.182   1.433  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1       -5.341   1.808   0.542  0.00  0.00    +0.068 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   1  21
ATOM     21  C   LIG    1        0.762   0.072   1.129  0.00  0.00    +0.227 C 
BRANCH  21  22
ATOM     22  C   LIG    1        1.576   0.814   0.075  0.00  0.00    +0.184 C 
ATOM     23  O   LIG    1        1.062   1.484  -0.821  0.00  0.00    -0.290 OA
BRANCH  22  27
ATOM     24  C   LIG    1        5.865   0.843   0.329  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        5.158   1.974  -0.087  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        3.764   1.951  -0.171  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        3.060   0.793   0.176  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1        3.765  -0.346   0.576  0.00  0.00    +0.015 A 
ATOM     29  C   LIG    1        5.164  -0.319   0.655  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1        7.992  -0.130   0.758  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        7.223   1.000   0.366  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  22  27
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6