REMARK  Name = BDB028514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.076   1.622   1.524  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -0.841   1.023   0.773  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -1.750   0.080   1.218  0.00  0.00    -0.283 N 
ATOM      4  C   LIG    1       -2.954  -0.350   0.481  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -4.231   0.302   1.087  0.00  0.00    +0.107 C 
ATOM      6  C   LIG    1       -4.283   0.077   2.618  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -2.967   0.457   3.311  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -1.781  -0.233   2.643  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.871   1.267  -0.570  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1       -1.053   0.461  -1.153  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.492  -0.239   0.409  0.00  0.00    -0.015 A 
ATOM     12  C   LIG    1       -6.368   0.607  -0.292  0.00  0.00    +0.006 A 
ATOM     13  C   LIG    1       -7.515   0.107  -0.915  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -7.810  -1.251  -0.848  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -6.960  -2.109  -0.158  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.813  -1.609   0.465  0.00  0.00    +0.006 A 
ENDBRANCH   5  11
BRANCH   5  17
ATOM     17  O   LIG    1       -4.152   1.724   0.875  0.00  0.00    -0.382 OA
ATOM     18  H   LIG    1       -3.226   1.985   1.030  0.00  0.00    +0.211 HD
ENDBRANCH   5  17
BRANCH   9  19
ATOM     19  C   LIG    1        0.040   2.216  -1.191  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.341   1.569  -1.693  0.00  0.00    +0.146 C 
BRANCH  20  21
ATOM     21  O   LIG    1        1.015   0.462  -2.553  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.846  -0.059  -2.595  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.271   1.070  -0.567  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.460   0.376  -1.126  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.083  -0.451  -0.067  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.393  -1.086  -0.482  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        6.144  -0.559  -1.547  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        7.369  -1.146  -1.893  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.858  -2.232  -1.170  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        7.127  -2.744  -0.101  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.600   0.592  -2.352  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.902  -2.173   0.244  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.463   1.331  -1.632  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   9  19
TORSDOF 7