REMARK  Name = BDB020872
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.914  -0.552   0.202  0.00  0.00    +0.147 A 
ATOM      2  N   LIG    1       -1.247  -1.518   0.836  0.00  0.00    -0.158 NA
ATOM      3  N   LIG    1        0.015  -1.065   0.893  0.00  0.00    -0.280 N 
ATOM      4  H   LIG    1        0.718  -1.653   1.331  0.00  0.00    +0.189 HD
ATOM      5  C   LIG    1        0.181   0.173   0.336  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -1.068   0.526  -0.130  0.00  0.00    +0.068 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        1.480   0.900   0.294  0.00  0.00    +0.041 C 
ATOM      8  C   LIG    1        2.581   0.150  -0.451  0.00  0.00    +0.054 C 
ATOM      9  C   LIG    1        3.851   0.827   0.054  0.00  0.00    +0.179 C 
ATOM     10  C   LIG    1        3.581   0.979   1.550  0.00  0.00    +0.045 C 
ATOM     11  C   LIG    1        2.073   1.190   1.681  0.00  0.00    +0.013 C 
BRANCH   9  12
ATOM     12  O   LIG    1        4.975  -0.013  -0.209  0.00  0.00    -0.447 OA
BRANCH  12  13
ATOM     13  C   LIG    1        6.186   0.572  -0.045  0.00  0.00    +0.401 C 
ATOM     14  N   LIG    1        7.159  -0.333  -0.342  0.00  0.00    -0.279 N 
ATOM     15  H   LIG    1        6.834  -1.271  -0.519  0.00  0.00    +0.152 HD
ATOM     16  O   LIG    1        6.372   1.721   0.321  0.00  0.00    -0.226 OA
BRANCH  14  17
ATOM     17  C   LIG    1        8.572  -0.069  -0.144  0.00  0.00    +0.070 C 
ATOM     18  C   LIG    1        9.403  -0.947  -1.074  0.00  0.00    +0.027 C 
ATOM     19  C   LIG    1        8.965  -0.298   1.314  0.00  0.00    +0.027 C 
ENDBRANCH  14  17
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   5   7
BRANCH   1  21
ATOM     20  C   LIG    1       -4.081   0.161  -0.670  0.00  0.00    +0.267 C 
ATOM     21  N   LIG    1       -3.259  -0.718  -0.007  0.00  0.00    -0.264 N 
ATOM     22  H   LIG    1       -3.602  -1.609   0.313  0.00  0.00    +0.157 HD
ATOM     23  O   LIG    1       -3.699   1.168  -1.253  0.00  0.00    -0.268 OA
BRANCH  20  28
ATOM     24  C   LIG    1       -7.590  -0.672  -1.225  0.00  0.00    +0.089 A 
ATOM     25  N   LIG    1       -7.476  -1.034   0.059  0.00  0.00    -0.173 NA
ATOM     26  N   LIG    1       -6.212  -0.700   0.388  0.00  0.00    -0.262 N 
ATOM     27  C   LIG    1       -5.813  -0.812   1.773  0.00  0.00    +0.173 C 
ATOM     28  C   LIG    1       -5.473  -0.231  -0.669  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.376  -0.143  -1.715  0.00  0.00    +0.060 A 
BRANCH  24  30
ATOM     30  C   LIG    1       -8.878  -0.839  -1.968  0.00  0.00    +0.216 C 
BRANCH  30  32
ATOM     31  C   LIG    1      -10.018   1.175  -1.463  0.00  0.00    +0.194 C 
ATOM     32  O   LIG    1       -9.403   0.394  -2.479  0.00  0.00    -0.377 OA
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  20  28
ENDBRANCH   1  21
TORSDOF 8