REMARK  Name = BDB051702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.130  -0.196   2.071  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1        0.480   0.450   0.933  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -0.118   0.841  -0.226  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.497   0.733  -0.659  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.776   1.076  -1.973  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -0.687   1.439  -2.952  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1        0.586   2.047  -2.309  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -3.098   0.959  -2.317  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1       -4.053   0.568  -1.452  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -3.674   0.276  -0.197  0.00  0.00    +0.216 A 
ATOM     11  N   LIG    1       -2.410   0.330   0.237  0.00  0.00    -0.213 NA
ATOM     12  C   LIG    1        0.877   1.429  -0.982  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.068   1.335  -0.210  0.00  0.00    +0.153 A 
ATOM     14  N   LIG    1        1.805   0.721   0.961  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1        3.391   1.873  -0.585  0.00  0.00    +0.290 C 
ATOM     16  N   LIG    1        4.542   1.481   0.119  0.00  0.00    -0.175 N 
ATOM     17  O   LIG    1        3.511   2.672  -1.524  0.00  0.00    -0.266 OA
BRANCH  16  18
ATOM     18  C   LIG    1        4.790   0.141   0.682  0.00  0.00    +0.106 C 
ATOM     19  C   LIG    1        4.860  -0.927  -0.427  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        5.554  -2.191   0.063  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        7.001  -1.925   0.480  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        7.252  -0.491   0.949  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        6.021   0.118   1.615  0.00  0.00    +0.025 C 
ENDBRANCH  16  18
BRANCH  16  24
ATOM     24  O   LIG    1        5.728   1.983  -0.512  0.00  0.00    -0.292 OA
ATOM     25  H   LIG    1        5.361   2.559  -1.218  0.00  0.00    +0.242 HD
ENDBRANCH  16  24
ENDBRANCH  13  15
BRANCH  10  26
ATOM     26  N   LIG    1       -4.609  -0.123   0.749  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1       -4.077  -0.588   1.476  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1       -5.754  -0.857   0.236  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1       -6.403  -1.665   1.370  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1       -7.889  -1.633   1.057  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1       -8.095  -0.208   0.579  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1       -6.862   0.085  -0.270  0.00  0.00    +0.022 C 
ENDBRANCH  26  28
ENDBRANCH  10  26
TORSDOF 5