REMARK  Name = BDB061865
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.716  -0.591  -0.168  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -1.265  -0.884  -0.354  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.871  -2.176  -0.733  0.00  0.00    +0.051 A 
ATOM      4  C   LIG    1        0.475  -2.503  -0.895  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1        1.455  -1.529  -0.699  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        1.104  -0.219  -0.363  0.00  0.00    +0.032 A 
ATOM      7  N   LIG    1       -1.837  -3.154  -0.980  0.00  0.00    -0.322 N 
ATOM      8  H   LIG    1       -1.570  -4.082  -1.278  0.00  0.00    +0.169 HD
ATOM      9  C   LIG    1       -3.177  -2.919  -0.900  0.00  0.00    +0.251 A 
ATOM     10  O   LIG    1       -4.010  -3.782  -1.156  0.00  0.00    -0.268 OA
ATOM     11  C   LIG    1       -0.259   0.086  -0.193  0.00  0.00    +0.035 A 
ATOM     12  C   LIG    1       -3.591  -1.568  -0.464  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   1  13
ATOM     13  N   LIG    1       -3.072   0.670   0.305  0.00  0.00    -0.343 N 
ATOM     14  H   LIG    1       -2.398   1.024   0.981  0.00  0.00    +0.146 HD
BRANCH  13  16
ATOM     15  C   LIG    1       -4.438   2.574   0.970  0.00  0.00    +0.024 C 
ATOM     16  C   LIG    1       -4.432   1.097   0.612  0.00  0.00    +0.098 C 
ENDBRANCH  13  16
ENDBRANCH   1  13
BRANCH   6  17
ATOM     17  N   LIG    1        2.055   0.797  -0.136  0.00  0.00    -0.313 N 
ATOM     18  H   LIG    1        1.703   1.721  -0.381  0.00  0.00    +0.152 HD
BRANCH  17  19
ATOM     19  C   LIG    1        3.419   0.737   0.231  0.00  0.00    +0.053 A 
ATOM     20  C   LIG    1        4.341   1.706  -0.210  0.00  0.00    +0.110 A 
ATOM     21  C   LIG    1        5.672   1.558   0.159  0.00  0.00    +0.148 A 
ATOM     22 CL   LIG    1        6.908   2.666  -0.307  0.00  0.00    -0.061 Cl
ATOM     23  N   LIG    1        6.148   0.544   0.915  0.00  0.00    -0.242 NA
ATOM     24  C   LIG    1        5.253  -0.371   1.328  0.00  0.00    +0.114 A 
ATOM     25  C   LIG    1        3.906  -0.319   1.013  0.00  0.00    +0.044 A 
BRANCH  20  26
ATOM     26  C   LIG    1        3.923   2.810  -1.013  0.00  0.00    +0.104 C 
ATOM     27  N   LIG    1        3.526   3.697  -1.647  0.00  0.00    -0.191 NA
ENDBRANCH  20  26
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 5