REMARK  Name = BDB018582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.237  -1.530  -0.015  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -1.929  -2.151  -0.274  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1       -1.873  -3.496  -0.351  0.00  0.00    +0.098 A 
ATOM      4  N   LIG    1       -2.989  -4.301  -0.209  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1       -2.828  -5.742  -0.333  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -4.257  -3.778   0.011  0.00  0.00    +0.252 A 
ATOM      7  O   LIG    1       -5.285  -4.438   0.125  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -4.332  -2.300   0.119  0.00  0.00    +0.079 A 
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -3.772   2.613   0.568  0.00  0.00    +0.214 A 
ATOM     10  N   LIG    1       -3.165   1.901   1.541  0.00  0.00    -0.221 NA
ATOM     11  C   LIG    1       -3.013   0.575   1.312  0.00  0.00    +0.123 A 
ATOM     12  C   LIG    1       -3.445  -0.080   0.161  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.074   0.691  -0.819  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.240   2.059  -0.614  0.00  0.00    +0.068 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -3.422   4.476   1.937  0.00  0.00    +0.279 C 
ATOM     16  O   LIG    1       -3.965   3.971   0.722  0.00  0.00    -0.480 OA
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   2  17
ATOM     17  C   LIG    1       -0.746  -1.364  -0.451  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        0.423  -1.469   0.269  0.00  0.00    +0.123 A 
ATOM     19  N   LIG    1        1.301  -0.523  -0.232  0.00  0.00    -0.238 N 
ATOM     20  N   LIG    1        0.736   0.154  -1.255  0.00  0.00    -0.174 NA
ATOM     21  C   LIG    1       -0.494  -0.342  -1.377  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        2.621  -0.220   0.228  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        3.500   0.634  -0.488  0.00  0.00    +0.081 A 
ATOM     24  C   LIG    1        4.788   0.944   0.036  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1        5.171   0.346   1.251  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.319  -0.502   1.947  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        3.052  -0.781   1.444  0.00  0.00    +0.029 A 
BRANCH  24  28
ATOM     28  C   LIG    1        5.772   1.852  -0.688  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1        6.549   2.911   0.065  0.00  0.00    +0.009 C 
ATOM     30  C   LIG    1        5.449   3.320  -0.863  0.00  0.00    +0.009 C 
ENDBRANCH  24  28
BRANCH  23  31
ATOM     31  C   LIG    1        3.189   1.176  -1.791  0.00  0.00    +0.102 C 
ATOM     32  N   LIG    1        3.040   1.625  -2.853  0.00  0.00    -0.191 NA
ENDBRANCH  23  31
ENDBRANCH  19  22
ENDBRANCH   2  17
TORSDOF 6