REMARK  Name = BDB006914
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.320   0.253  -0.160  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1        0.694  -0.680  -0.340  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1        1.949  -0.656   0.300  0.00  0.00    +0.043 A 
ATOM      4  C   LIG    1        2.715  -1.745  -0.094  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        3.979  -1.893   0.433  0.00  0.00    +0.117 A 
ATOM      6  N   LIG    1        4.499  -1.026   1.327  0.00  0.00    -0.259 NA
ATOM      7  C   LIG    1        3.730   0.036   1.707  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1        1.989  -2.626  -1.070  0.00  0.00    +0.009 C 
ATOM      9  C   LIG    1        2.724  -2.707  -2.412  0.00  0.00    +0.017 C 
ATOM     10  C   LIG    1        1.772  -4.027  -0.493  0.00  0.00    +0.017 C 
ATOM     11  C   LIG    1        2.447   0.258   1.209  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        0.643  -1.868  -1.214  0.00  0.00    +0.124 C 
ATOM     13  O   LIG    1       -0.230   1.228   0.594  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1       -1.623   0.017  -0.953  0.00  0.00    +0.181 C 
BRANCH  14  21
ATOM     15  C   LIG    1       -4.619  -3.027   0.924  0.00  0.00    +0.025 C 
ATOM     16  C   LIG    1       -3.325  -2.608   0.215  0.00  0.00    +0.065 C 
ATOM     17  N   LIG    1       -3.522  -2.563  -1.239  0.00  0.00    -0.310 NA
ATOM     18  H   LIG    1       -4.009  -3.395  -1.573  0.00  0.00    +0.122 HD
ATOM     19  C   LIG    1       -4.247  -1.355  -1.687  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -4.079  -0.090  -0.790  0.00  0.00    +0.158 C 
ATOM     21  N   LIG    1       -2.789  -0.080  -0.039  0.00  0.00    -0.280 NA
ATOM     22  C   LIG    1       -2.739  -1.288   0.816  0.00  0.00    +0.104 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.309   1.215  -1.599  0.00  0.00    +0.234 C 
ATOM     24  N   LIG    1       -4.296   2.433  -0.922  0.00  0.00    -0.306 N 
ATOM     25  C   LIG    1       -4.372   3.666  -1.687  0.00  0.00    +0.131 C 
ATOM     26  C   LIG    1       -4.043   2.584   0.504  0.00  0.00    +0.131 C 
ATOM     27  O   LIG    1       -4.529   1.165  -2.813  0.00  0.00    -0.274 OA
ENDBRANCH  20  23
ENDBRANCH  14  21
ENDBRANCH   1  14
BRANCH   7  28
ATOM     28  C   LIG    1        4.327   0.990   2.719  0.00  0.00    +0.090 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.739   2.325   2.139  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1        4.001   3.485   2.412  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        4.388   4.712   1.871  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.512   4.791   1.051  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        6.252   3.644   0.770  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        5.867   2.417   1.310  0.00  0.00    +0.004 A 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 5