REMARK  Name = BDB020992
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.905   3.933  -1.722  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -4.186   2.784  -1.225  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -3.248   2.681  -1.581  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.849   1.590  -1.077  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -4.060   0.543  -0.615  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.895   0.791   0.241  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -2.078  -0.440   0.401  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.520  -1.680   0.011  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.540  -2.592   0.272  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.493  -2.012   0.815  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -3.791  -1.914  -0.637  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.818  -0.679   0.920  0.00  0.00    +0.097 A 
ATOM     13  C   LIG    1       -4.735  -0.741  -0.406  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -6.041   1.466  -1.343  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.096   0.307   1.467  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        1.419   0.453   0.962  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1        2.273   1.426   1.528  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.574   1.585   1.030  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.012   0.791  -0.025  0.00  0.00    +0.080 A 
ATOM     20  N   LIG    1        3.220  -0.143  -0.591  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        1.812   2.229   2.584  0.00  0.00    +0.011 A 
ATOM     22  C   LIG    1        0.520   2.077   3.081  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        1.968  -0.296  -0.091  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -0.323   1.124   2.524  0.00  0.00    +0.133 A 
ATOM     25  F   LIG    1       -1.559   1.006   3.035  0.00  0.00    -0.205 F 
BRANCH  19  26
ATOM     26  C   LIG    1        5.364   0.914  -0.580  0.00  0.00    +0.057 A 
ATOM     27  S   LIG    1        5.750   0.335  -2.157  0.00  0.00    -0.071 S 
ATOM     28  C   LIG    1        7.368   0.870  -1.965  0.00  0.00    +0.076 A 
ATOM     29  C   LIG    1        8.354   0.663  -3.061  0.00  0.00    +0.073 C 
ATOM     30  N   LIG    1        7.643   1.453  -0.819  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1        6.507   1.469  -0.031  0.00  0.00    +0.128 A 
ENDBRANCH  19  26
ENDBRANCH  12  15
BRANCH   9  32
ATOM     32  C   LIG    1       -1.603  -4.113  -0.045  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -2.417  -5.011   0.850  0.00  0.00    +0.012 C 
ATOM     34  C   LIG    1       -0.919  -5.077   0.888  0.00  0.00    +0.012 C 
ENDBRANCH   9  32
TORSDOF 3