REMARK  Name = BDB027550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.975   1.722   1.921  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.809   1.642   1.185  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.440   2.158   1.723  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        1.548   1.399   0.973  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1        0.880   1.135  -0.380  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.563   0.835  -0.001  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1       -2.035   2.233   3.035  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -5.584   0.023   0.358  0.00  0.00    +0.033 A 
ATOM      9  C   LIG    1       -4.914   1.021  -0.355  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -3.733   1.582   0.146  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -3.207   1.132   1.357  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -3.881   0.155   2.092  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1       -5.062  -0.399   1.589  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1       -7.462  -0.364  -1.260  0.00  0.00    +0.217 C 
ATOM     15  N   LIG    1       -6.778  -0.590  -0.075  0.00  0.00    -0.286 N 
ATOM     16  H   LIG    1       -7.174  -1.279   0.551  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1       -7.134   0.403  -2.157  0.00  0.00    -0.275 OA
BRANCH  14  19
ATOM     18  C   LIG    1       -9.500  -0.986  -2.623  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1       -8.721  -1.214  -1.340  0.00  0.00    +0.093 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1        2.753   2.202   0.840  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1        2.972   2.803   1.629  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.920   1.489   0.604  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1        3.900   0.364  -0.123  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1        5.058  -0.277  -0.326  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1        6.268   0.179   0.197  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        7.479  -0.512  -0.029  0.00  0.00    +0.057 A 
ATOM     27  C   LIG    1        7.479  -1.679  -0.789  0.00  0.00    +0.121 A 
ATOM     28  C   LIG    1        6.273  -2.139  -1.313  0.00  0.00    +0.048 A 
ATOM     29  C   LIG    1        6.174   1.343   0.940  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        5.082  -1.442  -1.080  0.00  0.00    +0.032 A 
ATOM     31  N   LIG    1        5.022   2.005   1.158  0.00  0.00    -0.222 NA
BRANCH  27  32
ATOM     32  O   LIG    1        8.567  -2.449  -1.088  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1        9.826  -2.013  -0.589  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 6