REMARK  Name = BDB017520
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.410  -0.253  -0.489  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.132  -0.244  -0.063  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.721  -0.981  -0.776  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.108  -1.161  -0.572  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -2.570  -2.088  -1.551  0.00  0.00    +0.332 A 
ATOM      6  N   LIG    1       -1.471  -2.389  -2.374  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.466  -3.310  -3.474  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.691  -2.557  -1.664  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.359  -1.721  -1.877  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        0.945  -1.688  -2.251  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.841  -0.953  -1.563  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.917  -0.659   0.567  0.00  0.00    +0.049 C 
ATOM     13  C   LIG    1       -2.205   0.453   1.391  0.00  0.00    +0.031 C 
ATOM     14  C   LIG    1       -3.080   1.143   2.441  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1       -4.377   1.690   1.859  0.00  0.00    +0.115 C 
ATOM     16  C   LIG    1       -5.126   0.631   1.060  0.00  0.00    +0.033 C 
ATOM     17  C   LIG    1       -4.248  -0.065   0.017  0.00  0.00    +0.031 C 
ATOM     18  C   LIG    1       -3.218  -1.856   1.498  0.00  0.00    +0.035 C 
BRANCH  15  19
ATOM     19  O   LIG    1       -4.106   2.827   1.045  0.00  0.00    -0.392 OA
ATOM     20  H   LIG    1       -3.588   2.552   0.271  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        2.275   0.530   0.273  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1        1.750   0.969   1.015  0.00  0.00    +0.155 HD
BRANCH  21  25
ATOM     23  C   LIG    1        3.366   2.337   2.236  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        4.235   1.715   1.175  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1        3.625   0.786   0.177  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        4.464   0.268  -0.746  0.00  0.00    +0.138 A 
ATOM     27  N   LIG    1        5.816   0.583  -0.763  0.00  0.00    -0.219 N 
ATOM     28  C   LIG    1        6.398   1.446   0.159  0.00  0.00    +0.156 A 
ATOM     29  N   LIG    1        7.684   1.571  -0.079  0.00  0.00    -0.215 NA
ATOM     30  C   LIG    1        7.865   0.767  -1.163  0.00  0.00    +0.246 A 
ATOM     31  N   LIG    1        6.776   0.146  -1.618  0.00  0.00    -0.154 NA
ATOM     32  C   LIG    1        5.555   2.013   1.145  0.00  0.00    +0.053 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4