REMARK  Name = BDB036397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.250   0.354  -0.446  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1       -2.570   1.136  -1.543  0.00  0.00    +0.248 C 
ATOM      3  O   LIG    1       -3.561   1.820  -1.713  0.00  0.00    -0.270 OA
ATOM      4  C   LIG    1       -1.468   0.993  -2.501  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -0.552   0.075  -1.984  0.00  0.00    -0.013 A 
ATOM      6  C   LIG    1        0.584  -0.272  -2.710  0.00  0.00    -0.025 A 
ATOM      7  C   LIG    1        0.772   0.362  -3.954  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1       -0.161   1.290  -4.455  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1       -1.304   1.611  -3.725  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -1.024  -0.408  -0.650  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1  17
ATOM     11  O   LIG    1       -4.891  -2.198   3.632  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1       -4.435  -1.488   2.740  0.00  0.00    +0.219 C 
ATOM     13  N   LIG    1       -4.630  -1.800   1.418  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -5.090  -2.685   1.250  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.930  -1.295   0.346  0.00  0.00    +0.240 C 
ATOM     16  O   LIG    1       -3.910  -1.904  -0.721  0.00  0.00    -0.273 OA
ATOM     17  C   LIG    1       -3.216   0.045   0.599  0.00  0.00    +0.163 C 
ATOM     18  C   LIG    1       -2.584   0.019   1.988  0.00  0.00    +0.041 C 
ATOM     19  C   LIG    1       -3.666  -0.221   3.030  0.00  0.00    +0.098 C 
ENDBRANCH   1  17
BRANCH   6  20
ATOM     20  C   LIG    1        1.589  -1.263  -2.191  0.00  0.00    +0.140 C 
BRANCH  20  21
ATOM     21  N   LIG    1        2.534  -0.622  -1.305  0.00  0.00    -0.307 N 
ATOM     22  H   LIG    1        3.067   0.147  -1.685  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1        2.527  -0.844   0.054  0.00  0.00    +0.244 C 
ATOM     24  O   LIG    1        1.740  -1.601   0.612  0.00  0.00    -0.270 OA
BRANCH  23  25
ATOM     25  C   LIG    1        3.512  -0.070   0.859  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        3.208   0.200   2.201  0.00  0.00    +0.014 A 
ATOM     27  C   LIG    1        4.103   0.922   2.996  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        5.307   1.365   2.452  0.00  0.00    +0.041 A 
ATOM     29 CL   LIG    1        6.410   2.252   3.429  0.00  0.00    -0.084 Cl
ATOM     30  C   LIG    1        5.627   1.088   1.124  0.00  0.00    +0.021 A 
ATOM     31  C   LIG    1        4.733   0.367   0.326  0.00  0.00    +0.014 A 
ENDBRANCH  23  25
ENDBRANCH  20  21
ENDBRANCH   6  20
TORSDOF 4