REMARK  Name = BDB063825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.581   0.367   1.970  0.00  0.00    +0.041 C 
ATOM      2  C   LIG    1        0.365   0.414   1.411  0.00  0.00    +0.130 C 
ATOM      3  C   LIG    1       -0.850   0.752   2.200  0.00  0.00    +0.269 C 
ATOM      4  O   LIG    1       -0.946   1.029   3.379  0.00  0.00    -0.268 OA
ATOM      5  N   LIG    1       -1.833   0.670   1.268  0.00  0.00    -0.253 N 
ATOM      6  H   LIG    1       -2.796   0.859   1.468  0.00  0.00    +0.158 HD
ATOM      7  C   LIG    1       -1.286   0.331   0.080  0.00  0.00    +0.188 C 
ATOM      8  N   LIG    1        0.003   0.165   0.106  0.00  0.00    -0.213 NA
ENDROOT
BRANCH   1  14
ATOM      9  C   LIG    1        7.632  -1.353  -0.381  0.00  0.00    +0.150 C 
ATOM     10  N   LIG    1        6.382  -0.706  -0.686  0.00  0.00    -0.333 N 
ATOM     11  C   LIG    1        5.312  -0.572   0.163  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        4.366   0.114  -0.594  0.00  0.00    +0.090 A 
ATOM     13  C   LIG    1        3.121   0.427  -0.025  0.00  0.00    +0.038 A 
ATOM     14  C   LIG    1        2.847   0.034   1.296  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1        3.833  -0.643   2.032  0.00  0.00    +0.010 A 
ATOM     16  N   LIG    1        4.849   0.390  -1.852  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1        5.082  -0.967   1.483  0.00  0.00    +0.028 A 
ATOM     18  C   LIG    1        6.060  -0.117  -1.875  0.00  0.00    +0.200 A 
ENDBRANCH   1  14
BRANCH   7  19
ATOM     19  N   LIG    1       -2.011   0.175  -1.056  0.00  0.00    -0.314 N 
ATOM     20  H   LIG    1       -1.439  -0.178  -1.819  0.00  0.00    +0.149 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.436  -0.043  -1.217  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1       -4.243   1.232  -0.924  0.00  0.00    +0.022 C 
ATOM     23  C   LIG    1       -5.614   0.946  -0.309  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -6.247  -0.301  -0.912  0.00  0.00    +0.000 C 
ATOM     25  C   LIG    1       -5.399  -1.554  -0.685  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -3.920  -1.258  -0.422  0.00  0.00    +0.022 C 
ENDBRANCH  19  21
ENDBRANCH   7  19
TORSDOF 3