REMARK  Name = BDB034999
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.673  -0.406   2.032  0.00  0.00    +0.046 C 
ATOM      2  C   LIG    1       -4.007   0.182   0.820  0.00  0.00    -0.020 A 
ATOM      3  C   LIG    1       -2.795  -0.336   0.363  0.00  0.00    +0.092 A 
ATOM      4  C   LIG    1       -2.252   0.269  -0.788  0.00  0.00    +0.092 A 
ATOM      5  C   LIG    1       -1.052  -0.243  -1.258  0.00  0.00    +0.038 A 
ATOM      6  C   LIG    1       -0.407  -1.318  -0.627  0.00  0.00    +0.008 A 
ATOM      7  C   LIG    1       -1.017  -1.825   0.510  0.00  0.00    +0.118 A 
ATOM      8  N   LIG    1       -2.821   1.298  -1.445  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1       -3.982   1.775  -0.975  0.00  0.00    +0.117 A 
ATOM     10  N   LIG    1       -2.187  -1.362   1.002  0.00  0.00    -0.253 NA
ATOM     11  C   LIG    1       -4.609   1.246   0.139  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   9  12
ATOM     12  N   LIG    1       -4.563   2.817  -1.689  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -3.918   3.072  -2.434  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -4.786   3.606  -1.095  0.00  0.00    +0.144 HD
ENDBRANCH   9  12
BRANCH   6  15
ATOM     15  C   LIG    1        0.916  -1.835  -1.157  0.00  0.00    +0.219 C 
BRANCH  15  16
ATOM     16  N   LIG    1        2.038  -1.111  -0.577  0.00  0.00    -0.213 N 
ATOM     17  C   LIG    1        2.456  -1.224   0.719  0.00  0.00    +0.255 C 
ATOM     18  O   LIG    1        2.022  -1.940   1.599  0.00  0.00    -0.269 OA
ATOM     19  C   LIG    1        3.556  -0.278   0.888  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        3.726   0.382  -0.315  0.00  0.00    +0.049 A 
ATOM     21  C   LIG    1        4.690   1.355  -0.487  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        5.499   1.651   0.615  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        5.326   0.978   1.843  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        4.340  -0.003   1.991  0.00  0.00    +0.014 A 
ATOM     25  C   LIG    1        2.733  -0.146  -1.248  0.00  0.00    +0.255 C 
ATOM     26  O   LIG    1        2.582   0.240  -2.390  0.00  0.00    -0.269 OA
ENDBRANCH  15  16
BRANCH  15  27
ATOM     27  C   LIG    1        1.085  -3.305  -1.055  0.00  0.00    +0.091 C 
ATOM     28  N   LIG    1        1.222  -4.457  -1.000  0.00  0.00    -0.194 NA
ENDBRANCH  15  27
ENDBRANCH   6  15
TORSDOF 4