REMARK  Name = BDB018105
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.894   1.215  -0.435  0.00  0.00    +0.063 C 
ATOM      2  C   LIG    1        2.846   1.871  -1.352  0.00  0.00    +0.030 C 
ATOM      3  C   LIG    1        1.563   1.050  -1.434  0.00  0.00    +0.108 C 
ATOM      4  N   LIG    1        0.975   0.807  -0.117  0.00  0.00    -0.300 N 
ATOM      5  C   LIG    1       -0.339   0.384   0.080  0.00  0.00    +0.241 C 
ATOM      6  O   LIG    1       -0.810   0.219   1.207  0.00  0.00    -0.273 OA
ATOM      7  C   LIG    1        1.838   0.982   1.048  0.00  0.00    +0.108 C 
ATOM      8  C   LIG    1        3.256   0.500   0.767  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1   9
ATOM      9  C   LIG    1        4.757   0.223  -1.220  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1        4.328  -0.311  -2.243  0.00  0.00    -0.292 OA
BRANCH   9  15
ATOM     11  C   LIG    1        9.027  -0.037   1.372  0.00  0.00    +0.172 C 
ATOM     12  N   LIG    1        7.977  -0.217   0.398  0.00  0.00    -0.274 N 
ATOM     13  N   LIG    1        8.165  -1.062  -0.627  0.00  0.00    -0.179 NA
ATOM     14  C   LIG    1        7.021  -0.989  -1.312  0.00  0.00    +0.145 A 
ATOM     15  C   LIG    1        6.092  -0.094  -0.731  0.00  0.00    +0.055 A 
ATOM     16  C   LIG    1        6.752   0.388   0.384  0.00  0.00    +0.119 A 
ENDBRANCH   9  15
ENDBRANCH   1   9
BRANCH   5  17
ATOM     17  C   LIG    1       -1.188   0.130  -1.184  0.00  0.00    +0.256 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -2.467  -0.454  -0.958  0.00  0.00    -0.363 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -3.425   0.498  -0.499  0.00  0.00    +0.234 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -4.729  -0.198  -0.141  0.00  0.00    +0.136 A 
ATOM     21  N   LIG    1       -4.649  -1.558   0.006  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -3.756  -2.005  -0.162  0.00  0.00    +0.170 HD
ATOM     23  C   LIG    1       -5.720  -2.353   0.312  0.00  0.00    +0.259 A 
ATOM     24  O   LIG    1       -5.637  -3.572   0.399  0.00  0.00    -0.267 OA
ATOM     25  C   LIG    1       -6.991  -1.637   0.520  0.00  0.00    +0.065 A 
ATOM     26  C   LIG    1       -6.983  -0.247   0.365  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1       -8.177   0.451   0.557  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -9.353  -0.228   0.894  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -9.345  -1.616   1.042  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -8.161  -2.327   0.856  0.00  0.00    +0.015 A 
ATOM     31  N   LIG    1       -5.824   0.473   0.024  0.00  0.00    -0.231 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   5  17
TORSDOF 6