REMARK  Name = BDB022390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.998  -0.746   0.306  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1        0.392  -0.545   0.163  0.00  0.00    +0.037 A 
ATOM      3  C   LIG    1        1.329  -1.329   0.861  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.709  -1.077   0.730  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.186  -0.064  -0.110  0.00  0.00    -0.015 A 
ATOM      6  C   LIG    1        2.257   0.708  -0.811  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.879  -2.438   1.776  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.531  -2.893   1.431  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.884   0.471  -0.672  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -1.447  -1.681   1.355  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -4.644   2.014   2.617  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -4.267   1.847   1.150  0.00  0.00    +0.154 C 
ATOM     13  C   LIG    1       -5.527   1.731   0.268  0.00  0.00    +0.237 C 
ATOM     14  O   LIG    1       -6.613   2.235   0.554  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.349   1.123  -0.951  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -6.136   1.136  -1.583  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -4.167   0.452  -1.290  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1       -4.014  -0.037  -2.587  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -2.846  -0.711  -2.937  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -1.847  -0.921  -1.984  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -1.998  -0.462  -0.664  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -3.161   0.271  -0.321  0.00  0.00    +0.071 A 
ATOM     23  N   LIG    1       -3.360   0.694   1.021  0.00  0.00    -0.330 N 
ATOM     24  H   LIG    1       -2.443   0.859   1.437  0.00  0.00    +0.147 HD
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  C   LIG    1        4.614   0.176  -0.231  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.246   0.696  -1.343  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        6.577   0.740  -1.044  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        7.643   1.207  -1.896  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        6.866   0.283   0.187  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.672  -0.060   0.678  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
TORSDOF 2