REMARK  Name = BDB052987
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.333   1.062   0.798  0.00  0.00    -0.220 N 
ATOM      2  C   LIG    1        0.194   2.427   0.606  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -0.830   3.054   0.871  0.00  0.00    -0.266 OA
ATOM      4  C   LIG    1        1.360   3.129   0.049  0.00  0.00    +0.051 A 
ATOM      5  C   LIG    1        2.528   2.421  -0.220  0.00  0.00    +0.029 A 
ATOM      6  C   LIG    1        3.618   3.101  -0.787  0.00  0.00    +0.012 A 
ATOM      7  C   LIG    1        3.534   4.472  -1.059  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        2.366   5.173  -0.773  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        2.552   0.963   0.108  0.00  0.00    +0.152 A 
ATOM     10  C   LIG    1        1.276   4.503  -0.222  0.00  0.00    +0.014 A 
ATOM     11  N   LIG    1        1.489   0.363   0.580  0.00  0.00    -0.152 NA
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1        3.727   0.236  -0.082  0.00  0.00    -0.283 N 
ATOM     13  H   LIG    1        4.551   0.761  -0.339  0.00  0.00    +0.155 HD
BRANCH  12  14
ATOM     14  C   LIG    1        3.919  -1.099   0.089  0.00  0.00    +0.120 A 
ATOM     15  N   LIG    1        2.902  -1.954   0.421  0.00  0.00    -0.264 N 
ATOM     16  H   LIG    1        1.931  -1.698   0.570  0.00  0.00    +0.190 HD
ATOM     17  N   LIG    1        3.293  -3.235   0.558  0.00  0.00    -0.178 NA
ATOM     18  C   LIG    1        4.602  -3.198   0.281  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1        5.404  -4.444   0.316  0.00  0.00    +0.067 C 
ATOM     20  C   LIG    1        5.041  -1.885  -0.018  0.00  0.00    +0.068 A 
ENDBRANCH  12  14
ENDBRANCH   9  12
BRANCH   1  21
ATOM     21  C   LIG    1       -0.817   0.298   1.265  0.00  0.00    +0.227 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.753  -0.039   0.106  0.00  0.00    +0.185 C 
ATOM     23  O   LIG    1       -1.421   0.037  -1.077  0.00  0.00    -0.290 OA
BRANCH  22  26
ATOM     24  C   LIG    1       -5.379  -1.031  -0.351  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1       -4.075  -0.590  -0.598  0.00  0.00    +0.057 A 
ATOM     26  C   LIG    1       -3.131  -0.516   0.435  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -3.502  -0.900   1.729  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -4.803  -1.342   1.978  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1       -5.739  -1.406   0.943  0.00  0.00    +0.045 A 
BRANCH  24  31
ATOM     30  C   LIG    1       -7.530  -1.494  -1.255  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -6.194  -1.049  -1.449  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  22  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 6