REMARK  Name = BDB027634
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.508   0.844   0.179  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -0.395   2.186   0.585  0.00  0.00    +0.043 A 
ATOM      3  C   LIG    1        0.907   2.661   0.742  0.00  0.00    +0.095 A 
ATOM      4  C   LIG    1        1.032   3.982   1.147  0.00  0.00    +0.139 A 
ATOM      5  N   LIG    1        0.010   4.844   1.393  0.00  0.00    -0.261 NA
ATOM      6  C   LIG    1       -1.231   4.359   1.222  0.00  0.00    +0.111 A 
ATOM      7  N   LIG    1        1.992   1.908   0.515  0.00  0.00    -0.226 NA
ATOM      8  C   LIG    1        1.785   0.644   0.116  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -1.484   3.059   0.824  0.00  0.00    +0.033 A 
ATOM     10  N   LIG    1        0.574   0.093  -0.074  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.971  -0.195  -0.139  0.00  0.00    +0.022 A 
ATOM     12  C   LIG    1        2.863  -1.576  -0.361  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        4.007  -2.322  -0.599  0.00  0.00    +0.111 A 
ATOM     14  N   LIG    1        5.249  -1.799  -0.635  0.00  0.00    -0.263 NA
ATOM     15  C   LIG    1        5.350  -0.473  -0.416  0.00  0.00    +0.111 A 
ATOM     16  C   LIG    1        4.263   0.352  -0.169  0.00  0.00    +0.031 A 
ENDBRANCH   8  11
BRANCH   1  17
ATOM     17  N   LIG    1       -1.788   0.300  -0.014  0.00  0.00    -0.317 N 
ATOM     18  H   LIG    1       -2.324   0.457   0.844  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1       -1.977  -1.135  -0.386  0.00  0.00    +0.102 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.316  -1.488  -1.740  0.00  0.00    +0.186 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -1.741  -2.766  -2.220  0.00  0.00    -0.393 OA
ATOM     22  H   LIG    1       -1.267  -2.919  -3.058  0.00  0.00    +0.209 HD
ENDBRANCH  20  21
ENDBRANCH  19  20
BRANCH  19  23
ATOM     23  C   LIG    1       -1.492  -2.074   0.753  0.00  0.00    +0.186 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.023  -1.695   2.031  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1       -2.977  -1.516   1.890  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  19  23
BRANCH  19  26
ATOM     26  C   LIG    1       -3.523  -1.319  -0.543  0.00  0.00    +0.186 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -4.208  -0.974   0.675  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -5.161  -1.031   0.473  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH  19  26
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 9