REMARK  Name = BDB059099
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -3.964  -3.376   0.177  0.00  0.00    -0.249 OA
ATOM      2  C   LIG    1       -4.135  -2.164   0.158  0.00  0.00    +0.323 C 
ATOM      3  C   LIG    1       -3.017  -1.109   0.070  0.00  0.00    +0.099 C 
ATOM      4  C   LIG    1       -2.249  -1.335  -1.240  0.00  0.00    +0.042 C 
ATOM      5  C   LIG    1       -0.930  -0.575  -1.294  0.00  0.00    +0.109 C 
ATOM      6  N   LIG    1       -0.119  -0.859  -0.101  0.00  0.00    -0.301 N 
ATOM      7  C   LIG    1       -0.792  -0.507   1.161  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -2.108  -1.265   1.296  0.00  0.00    +0.042 C 
ATOM      9  C   LIG    1       -3.829   0.140   0.081  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.164  -0.221   0.161  0.00  0.00    +0.136 A 
ATOM     11  C   LIG    1       -6.184   0.711   0.192  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -5.838   2.060   0.139  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -4.492   2.442   0.060  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.477   1.480   0.030  0.00  0.00    +0.008 A 
ATOM     15  O   LIG    1       -5.395  -1.581   0.210  0.00  0.00    -0.425 OA
ENDROOT
BRANCH   6  16
ATOM     16  C   LIG    1        1.245  -0.619  -0.166  0.00  0.00    +0.198 A 
ATOM     17  N   LIG    1        1.929  -1.256  -1.162  0.00  0.00    -0.295 N 
ATOM     18  H   LIG    1        1.453  -1.924  -1.742  0.00  0.00    +0.172 HD
ATOM     19  C   LIG    1        3.278  -1.166  -1.328  0.00  0.00    +0.256 A 
ATOM     20  O   LIG    1        3.877  -1.802  -2.188  0.00  0.00    -0.267 OA
ATOM     21  C   LIG    1        3.965  -0.251  -0.396  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        5.440  -0.047  -0.563  0.00  0.00    +0.042 C 
ATOM     23  C   LIG    1        5.968   1.142   0.242  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        5.355   1.174   1.638  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1        3.829   1.267   1.566  0.00  0.00    +0.056 C 
ATOM     26  C   LIG    1        3.211   0.339   0.546  0.00  0.00    +0.053 A 
ATOM     27  N   LIG    1        1.856   0.154   0.680  0.00  0.00    -0.220 NA
ENDBRANCH   6  16
TORSDOF 1