REMARK  Name = BDB056577
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.875   0.278   0.299  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.150   1.593   0.203  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1        0.153   2.493   0.037  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -1.179   2.078  -0.047  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.403   2.756  -0.237  0.00  0.00    +0.041 A 
ATOM      6  C   LIG    1       -3.411   1.814  -0.311  0.00  0.00    +0.097 A 
ATOM      7  N   LIG    1       -2.864   0.558  -0.025  0.00  0.00    -0.242 N 
ATOM      8  C   LIG    1       -3.541  -0.665   0.205  0.00  0.00    +0.421 C 
ATOM      9  O   LIG    1       -2.948  -1.732   0.188  0.00  0.00    -0.223 OA
ATOM     10  C   LIG    1       -1.469   0.717   0.040  0.00  0.00    +0.065 A 
ATOM     11  C   LIG    1       -0.430  -0.212   0.216  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   6  12
ATOM     12  C   LIG    1       -4.770   2.065  -0.683  0.00  0.00    +0.172 A 
ATOM     13  O   LIG    1       -5.486   1.261  -1.539  0.00  0.00    -0.441 OA
ATOM     14  C   LIG    1       -6.689   1.881  -1.663  0.00  0.00    +0.308 A 
ATOM     15  N   LIG    1       -6.818   2.994  -0.981  0.00  0.00    -0.224 NA
ATOM     16  C   LIG    1       -5.600   3.124  -0.363  0.00  0.00    +0.162 A 
ENDBRANCH   6  12
BRANCH   1  17
ATOM     17  N   LIG    1        1.910  -0.673   0.466  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1        1.653  -1.339   1.191  0.00  0.00    +0.154 HD
BRANCH  17  23
ATOM     19  C   LIG    1        6.118  -0.214   0.329  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1        5.550  -1.202   1.133  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        4.161  -1.335   1.175  0.00  0.00    +0.063 A 
ATOM     22 CL   LIG    1        3.494  -2.592   2.163  0.00  0.00    -0.082 Cl
ATOM     23  C   LIG    1        3.313  -0.471   0.449  0.00  0.00    +0.051 A 
ATOM     24  C   LIG    1        3.912   0.512  -0.351  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        5.303   0.656  -0.399  0.00  0.00    +0.015 A 
BRANCH  19  28
ATOM     26  C   LIG    1        9.676   0.297  -0.902  0.00  0.00    +0.132 C 
ATOM     27  N   LIG    1        8.256  -0.008  -0.909  0.00  0.00    -0.304 N 
ATOM     28  C   LIG    1        7.591  -0.065   0.314  0.00  0.00    +0.246 C 
ATOM     29  O   LIG    1        8.158   0.016   1.401  0.00  0.00    -0.270 OA
ATOM     30  C   LIG    1        7.712  -0.491  -2.171  0.00  0.00    +0.132 C 
ENDBRANCH  19  28
ENDBRANCH  17  23
ENDBRANCH   1  17
BRANCH   8  31
ATOM     31  O   LIG    1       -4.840  -0.447   0.518  0.00  0.00    -0.442 OA
BRANCH  31  32
ATOM     32  C   LIG    1       -5.712  -1.555   0.855  0.00  0.00    +0.107 C 
ATOM     33  C   LIG    1       -5.228  -2.283   2.114  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1       -5.873  -2.511  -0.332  0.00  0.00    +0.055 C 
ATOM     35  C   LIG    1       -7.073  -0.910   1.157  0.00  0.00    +0.055 C 
ENDBRANCH  31  32
ENDBRANCH   8  31
TORSDOF 6