REMARK  Name = BDB023054
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.291  -1.235   0.352  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.177  -1.290   1.879  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.820  -0.183   2.169  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.744  -0.279   0.959  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.877  -0.544  -0.159  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   1  14
ATOM      6  C   LIG    1        3.462   2.330  -1.325  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        2.922   1.045  -0.810  0.00  0.00    -0.020 A 
ATOM      8  C   LIG    1        3.666  -0.132  -0.501  0.00  0.00    +0.067 A 
ATOM      9  C   LIG    1        2.760  -1.070  -0.066  0.00  0.00    +0.126 A 
ATOM     10  N   LIG    1        3.145  -2.301   0.317  0.00  0.00    -0.332 N 
ATOM     11  H   LIG    1        2.518  -3.032   0.637  0.00  0.00    +0.168 HD
ATOM     12  C   LIG    1        4.492  -2.574   0.238  0.00  0.00    +0.200 A 
ATOM     13  N   LIG    1        5.432  -1.774  -0.157  0.00  0.00    -0.215 NA
ATOM     14  N   LIG    1        1.501  -0.546  -0.084  0.00  0.00    -0.304 N 
ATOM     15  C   LIG    1        5.080  -0.490  -0.556  0.00  0.00    +0.203 A 
ATOM     16  N   LIG    1        5.937   0.395  -0.966  0.00  0.00    -0.066 NA
ATOM     17  C   LIG    1        1.592   0.753  -0.538  0.00  0.00    +0.094 A 
BRANCH  16  18
ATOM     18  O   LIG    1        7.248  -0.109  -0.955  0.00  0.00    -0.408 OA
ATOM     19  H   LIG    1        7.766   0.645  -1.288  0.00  0.00    +0.328 HD
ENDBRANCH  16  18
ENDBRANCH   1  14
BRANCH   2  20
ATOM     20  O   LIG    1       -0.359  -2.555   2.303  0.00  0.00    -0.385 OA
ATOM     21  H   LIG    1       -0.827  -2.358   3.143  0.00  0.00    +0.210 HD
ENDBRANCH   2  20
BRANCH   3  22
ATOM     22  O   LIG    1       -1.486  -0.404   3.408  0.00  0.00    -0.386 OA
ATOM     23  H   LIG    1       -2.207   0.263   3.440  0.00  0.00    +0.210 HD
ENDBRANCH   3  22
BRANCH   4  24
ATOM     24  C   LIG    1       -2.561   1.008   0.752  0.00  0.00    +0.176 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.643   0.844  -0.299  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -4.849   0.186  -0.004  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -5.833   0.032  -0.984  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.616   0.528  -2.267  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1       -6.827   0.338  -3.474  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1       -4.422   1.174  -2.579  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -3.438   1.329  -1.600  0.00  0.00    +0.007 A 
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  O   LIG    1       -3.155   1.413   1.994  0.00  0.00    -0.385 OA
ATOM     33  H   LIG    1       -3.846   2.065   1.769  0.00  0.00    +0.210 HD
ENDBRANCH  24  32
ENDBRANCH   4  24
TORSDOF 7