REMARK  Name = BDB050341
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.754   0.247  -0.415  0.00  0.00    +0.048 A 
ATOM      2  N   LIG    1       -3.200  -0.826  -1.079  0.00  0.00    -0.354 N 
ATOM      3  H   LIG    1       -3.717  -1.467  -1.663  0.00  0.00    +0.166 HD
ATOM      4  C   LIG    1       -1.851  -0.921  -0.829  0.00  0.00    +0.047 A 
ATOM      5  C   LIG    1       -1.526   0.115   0.041  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.191   0.245   0.467  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        0.780  -0.659   0.014  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        0.419  -1.687  -0.858  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -0.904  -1.838  -1.295  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1       -2.725   0.835   0.298  0.00  0.00    +0.036 A 
ENDROOT
BRANCH   1  19
ATOM     11  O   LIG    1       -4.733   0.527   2.595  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -5.756   0.816   2.010  0.00  0.00    +0.245 C 
ATOM     13  C   LIG    1       -6.000   0.860   0.552  0.00  0.00    +0.050 A 
ATOM     14  C   LIG    1       -7.349   1.213   0.383  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1       -7.910   1.322  -0.878  0.00  0.00    +0.006 A 
ATOM     16  C   LIG    1       -7.095   1.071  -1.981  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -5.744   0.717  -1.809  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -8.007   1.427   1.704  0.00  0.00    +0.140 C 
ATOM     19  C   LIG    1       -5.166   0.602  -0.530  0.00  0.00    +0.011 A 
ATOM     20  N   LIG    1       -6.940   1.161   2.627  0.00  0.00    -0.307 N 
ATOM     21  H   LIG    1       -7.008   1.182   3.636  0.00  0.00    +0.149 HD
ENDBRANCH   1  19
BRANCH   7  22
ATOM     22  O   LIG    1        2.037  -0.423   0.502  0.00  0.00    -0.491 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.078  -1.310   0.089  0.00  0.00    +0.244 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.405  -0.901   0.762  0.00  0.00    +0.125 C 
BRANCH  24  25
ATOM     25  N   LIG    1        4.920   0.435   0.402  0.00  0.00    -0.299 NA
ATOM     26  C   LIG    1        5.284   0.587  -1.012  0.00  0.00    +0.084 C 
ATOM     27  C   LIG    1        6.563  -0.156  -1.404  0.00  0.00    +0.015 C 
ATOM     28  C   LIG    1        7.729   0.240  -0.502  0.00  0.00    +0.002 C 
ATOM     29  C   LIG    1        7.349   0.117   0.970  0.00  0.00    +0.015 C 
ATOM     30  C   LIG    1        6.035   0.844   1.269  0.00  0.00    +0.084 C 
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 5