REMARK  Name = BDB009780
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.126  -0.541   0.312  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -0.097   0.248  -0.004  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1       -1.397  -0.304   0.674  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1       -1.465  -1.830   0.834  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1       -0.300  -2.617   0.233  0.00  0.00    +0.055 C 
ATOM      6  C   LIG    1       -0.412  -2.754  -1.298  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.025  -1.920   0.558  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1        1.999  -2.584   0.919  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -0.008   1.733   0.383  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1        0.269   2.134   1.699  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        0.297   3.488   2.045  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1        0.031   4.454   1.080  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1        0.065   6.120   1.506  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -0.274   4.079  -0.225  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -0.301   2.726  -0.570  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1       -2.671   0.239   0.023  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1       -3.502   1.111   0.746  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1       -4.657   1.635   0.163  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1       -5.657   2.708   1.064  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1       -5.004   1.300  -1.142  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -4.189   0.435  -1.871  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -3.030  -0.090  -1.293  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1        2.488  -0.151  -0.189  0.00  0.00    +0.108 C 
BRANCH  23  24
ATOM     24  C   LIG    1        2.519   1.028  -1.144  0.00  0.00    +0.012 C 
ATOM     25  C   LIG    1        3.490   1.030  -2.307  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        2.021   0.896  -2.568  0.00  0.00    +0.006 C 
ENDBRANCH  23  24
BRANCH  23  28
ATOM     27  C   LIG    1        3.506   1.109   1.872  0.00  0.00    +0.039 C 
ATOM     28  C   LIG    1        3.601  -0.066   0.912  0.00  0.00    +0.132 C 
BRANCH  28  29
ATOM     29  O   LIG    1        4.895  -0.021   0.287  0.00  0.00    -0.390 OA
ATOM     30  H   LIG    1        5.554  -0.176   0.985  0.00  0.00    +0.210 HD
ENDBRANCH  28  29
ENDBRANCH  23  28
ENDBRANCH   1  23
BRANCH   5  31
ATOM     31  C   LIG    1       -0.250  -4.041   0.855  0.00  0.00    +0.136 C 
BRANCH  31  32
ATOM     32  C   LIG    1       -1.514  -4.835   0.685  0.00  0.00    +0.306 C 
ATOM     33  O   LIG    1       -2.501  -4.778   1.399  0.00  0.00    -0.251 OA
BRANCH  32  34
ATOM     34  O   LIG    1       -1.489  -5.642  -0.391  0.00  0.00    -0.481 OA
ATOM     35  H   LIG    1       -2.355  -6.101  -0.368  0.00  0.00    +0.295 HD
ENDBRANCH  32  34
ENDBRANCH  31  32
ENDBRANCH   5  31
TORSDOF 9