REMARK  Name = BDB014849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.077   4.984   0.029  0.00  0.00    +0.109 C 
ATOM      2  C   LIG    1       -4.915   3.771   0.351  0.00  0.00    +0.213 C 
ATOM      3  N   LIG    1       -4.262   2.545   0.399  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -2.788   2.442   0.456  0.00  0.00    +0.148 C 
ATOM      5  C   LIG    1       -2.337   1.060   0.149  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1       -1.037   0.512  -0.023  0.00  0.00    +0.150 A 
ATOM      7  N   LIG    1       -1.114  -0.799  -0.280  0.00  0.00    -0.155 NA
ATOM      8  N   LIG    1       -2.428  -1.084  -0.295  0.00  0.00    -0.266 N 
ATOM      9  C   LIG    1       -3.199  -0.003  -0.015  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1       -4.676   0.080   0.078  0.00  0.00    +0.074 C 
ATOM     11  C   LIG    1       -5.045   1.370   0.839  0.00  0.00    +0.114 C 
ATOM     12  O   LIG    1       -6.124   3.894   0.545  0.00  0.00    -0.276 OA
ENDROOT
BRANCH   6  13
ATOM     13  N   LIG    1        0.084   1.268   0.093  0.00  0.00    -0.298 N 
ATOM     14  H   LIG    1       -0.033   2.245   0.326  0.00  0.00    +0.154 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.449   0.956  -0.105  0.00  0.00    +0.032 A 
ATOM     16  C   LIG    1        2.414   1.921   0.225  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        3.784   1.668   0.070  0.00  0.00    +0.010 A 
ATOM     18  C   LIG    1        4.231   0.436  -0.416  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1        3.276  -0.531  -0.743  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1        1.906  -0.273  -0.585  0.00  0.00    +0.024 A 
BRANCH  18  21
ATOM     21  C   LIG    1        5.653   0.184  -0.579  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.257  -1.056  -0.530  0.00  0.00    +0.116 A 
ATOM     23  N   LIG    1        7.593  -0.843  -0.715  0.00  0.00    -0.274 N 
ATOM     24  C   LIG    1        8.635  -1.839  -0.744  0.00  0.00    +0.172 C 
ATOM     25  N   LIG    1        7.912   0.453  -0.877  0.00  0.00    -0.179 NA
ATOM     26  C   LIG    1        6.732   1.075  -0.795  0.00  0.00    +0.142 A 
ENDBRANCH  18  21
ENDBRANCH  13  15
ENDBRANCH   6  13
BRANCH   8  27
ATOM     27  C   LIG    1       -2.850  -2.445  -0.563  0.00  0.00    +0.153 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.573  -3.355   0.623  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.078  -4.747   0.352  0.00  0.00    +0.212 C 
ATOM     30  O   LIG    1       -3.743  -5.065  -0.625  0.00  0.00    -0.276 OA
ATOM     31  N   LIG    1       -2.764  -5.657   1.318  0.00  0.00    -0.329 N 
ATOM     32  H   LIG    1       -2.055  -5.478   2.016  0.00  0.00    +0.145 HD
ATOM     33  H   LIG    1       -3.021  -6.621   1.141  0.00  0.00    +0.145 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH   8  27
TORSDOF 6