REMARK  Name = BDB003254
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.588   0.663  -1.195  0.00  0.00    +0.181 A 
ATOM      2  N   LIG    1       -0.072   1.439  -0.323  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -1.295   1.039   0.027  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -1.867  -0.072  -0.463  0.00  0.00    -0.199 NA
ATOM      5  C   LIG    1       -1.208  -0.827  -1.359  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1        0.059  -0.476  -1.752  0.00  0.00    +0.093 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -1.986   1.782   0.948  0.00  0.00    -0.300 N 
ATOM      8  C   LIG    1       -3.419   1.613   1.112  0.00  0.00    +0.108 C 
ATOM      9  C   LIG    1       -3.902   2.991   1.570  0.00  0.00    +0.020 C 
ATOM     10  C   LIG    1       -2.666   3.620   2.197  0.00  0.00    +0.020 C 
ATOM     11  C   LIG    1       -1.542   3.119   1.296  0.00  0.00    +0.108 C 
ENDBRANCH   3   7
BRANCH   5  12
ATOM     12  N   LIG    1       -1.828  -1.958  -1.835  0.00  0.00    -0.315 N 
ATOM     13  C   LIG    1       -1.460  -2.648  -3.064  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1       -2.744  -3.361  -3.490  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -3.494  -3.558  -2.182  0.00  0.00    +0.020 C 
ATOM     16  C   LIG    1       -3.192  -2.268  -1.425  0.00  0.00    +0.106 C 
ENDBRANCH   5  12
BRANCH   1  18
ATOM     17  N   LIG    1        2.826   0.973  -0.773  0.00  0.00    -0.181 NA
ATOM     18  N   LIG    1        1.871   1.091  -1.581  0.00  0.00    -0.134 NA
BRANCH  17  19
ATOM     19  C   LIG    1        2.643   0.415   0.581  0.00  0.00    +0.205 C 
BRANCH  19  21
ATOM     20  C   LIG    1        4.579  -1.019   1.410  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        3.977   0.235   1.269  0.00  0.00    +0.017 A 
ATOM     22  C   LIG    1        4.656   1.363   1.761  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        5.896   1.231   2.389  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.475  -0.028   2.530  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.818  -1.156   2.039  0.00  0.00    +0.046 A 
BRANCH  20  26
ATOM     26  O   LIG    1        3.939  -2.123   0.921  0.00  0.00    -0.506 OA
ATOM     27  H   LIG    1        4.492  -2.903   1.088  0.00  0.00    +0.292 HD
ENDBRANCH  20  26
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  18
TORSDOF 6