REMARK  Name = BDB018276
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.138   1.817   0.748  0.00  0.00    +0.060 A 
ATOM      2  C   LIG    1       -0.672   1.694   0.528  0.00  0.00    +0.025 A 
ATOM      3  C   LIG    1        0.059   2.823   0.406  0.00  0.00    +0.099 A 
ATOM      4  N   LIG    1       -0.479   4.088   0.535  0.00  0.00    -0.318 N 
ATOM      5  C   LIG    1        0.406   5.238   0.440  0.00  0.00    +0.152 C 
ATOM      6  C   LIG    1       -1.801   4.283   0.892  0.00  0.00    +0.253 A 
ATOM      7  O   LIG    1       -2.320   5.371   1.121  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1       -2.630   3.057   0.970  0.00  0.00    +0.097 A 
ENDROOT
BRANCH   1  11
ATOM      9  C   LIG    1       -3.958  -1.323   0.211  0.00  0.00    +0.077 A 
ATOM     10  C   LIG    1       -2.872  -0.489   0.010  0.00  0.00    +0.106 A 
ATOM     11  N   LIG    1       -3.031   0.707   0.696  0.00  0.00    -0.321 N 
ATOM     12  C   LIG    1       -4.286   0.628   1.290  0.00  0.00    +0.092 A 
ATOM     13  C   LIG    1       -4.855  -0.598   1.031  0.00  0.00    +0.034 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -4.144  -2.665  -0.328  0.00  0.00    +0.340 C 
ATOM     15  O   LIG    1       -5.142  -3.341  -0.105  0.00  0.00    -0.245 OA
BRANCH  14  17
ATOM     16  C   LIG    1       -3.243  -4.391  -1.627  0.00  0.00    +0.280 C 
ATOM     17  O   LIG    1       -3.094  -3.074  -1.100  0.00  0.00    -0.464 OA
ENDBRANCH  14  17
ENDBRANCH   9  14
ENDBRANCH   1  11
BRANCH   2  18
ATOM     18  C   LIG    1        0.028   0.443   0.571  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1        0.880  -0.053  -0.391  0.00  0.00    +0.117 A 
ATOM     20  N   LIG    1        1.340  -1.249   0.092  0.00  0.00    -0.267 N 
ATOM     21  N   LIG    1        0.833  -1.563   1.304  0.00  0.00    -0.179 NA
ATOM     22  C   LIG    1        0.045  -0.525   1.598  0.00  0.00    +0.143 A 
BRANCH  20  23
ATOM     23  C   LIG    1        2.247  -2.170  -0.581  0.00  0.00    +0.178 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.652  -1.623  -0.648  0.00  0.00    -0.026 A 
ATOM     25  C   LIG    1        4.223  -1.267  -1.879  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        5.523  -0.761  -1.935  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.264  -0.606  -0.765  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.708  -0.958   0.463  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.410  -1.464   0.522  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   2  18
TORSDOF 6