REMARK  Name = BDB014603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.631  -0.545  -3.180  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.036  -0.576  -2.150  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.096   0.342  -1.132  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.550   0.266  -0.351  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.993   1.478  -1.205  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -2.274   1.301  -0.368  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -2.851   2.601  -0.166  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -2.287   3.068   0.474  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -3.295   0.376  -1.075  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -4.371  -0.150  -0.198  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -5.224   0.935   0.331  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -6.488   0.453   1.020  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -6.976  -0.849   0.821  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -8.156  -1.258   1.456  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.865  -0.369   2.264  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.397   0.930   2.448  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.194  -1.817  -0.026  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -7.217   1.340   1.828  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -5.202  -1.105  -0.953  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.060  -1.682  -1.875  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.017  -1.376  -0.867  0.00  0.00    -0.483 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.092  -0.600  -1.212  0.00  0.00    +0.123 A 
ATOM     23  C   LIG    1        4.048  -0.453  -0.195  0.00  0.00    +0.068 A 
ATOM     24  C   LIG    1        5.211   0.315  -0.363  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        5.367   0.948  -1.607  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1        4.422   0.815  -2.628  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        3.283   0.040  -2.432  0.00  0.00    +0.046 A 
BRANCH  24  28
ATOM     28  N   LIG    1        6.177   0.482   0.632  0.00  0.00    -0.327 N 
ATOM     29  C   LIG    1        7.578   0.266   0.194  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1        8.507  -0.109   1.372  0.00  0.00    +0.100 C 
ATOM     31  N   LIG    1        8.053  -1.262   2.174  0.00  0.00    -0.313 NA
ATOM     32  H   LIG    1        8.270  -2.121   1.667  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        6.589  -1.223   2.389  0.00  0.00    +0.100 C 
ATOM     34  C   LIG    1        5.910   0.116   2.036  0.00  0.00    +0.120 C 
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9