REMARK  Name = BDB049978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.909  -1.153  -1.840  0.00  0.00    +0.057 C 
ATOM      2  C   LIG    1       -0.238   0.212  -2.015  0.00  0.00    +0.117 C 
ATOM      3  N   LIG    1        1.068   0.087  -1.385  0.00  0.00    -0.296 N 
ATOM      4  C   LIG    1        1.927   1.172  -1.345  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        1.630   2.227  -1.903  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1        1.391  -1.313  -1.137  0.00  0.00    +0.109 C 
ATOM      7  C   LIG    1        0.300  -2.099  -1.857  0.00  0.00    +0.030 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1       -1.333  -2.510   2.853  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1       -1.948  -1.848   1.656  0.00  0.00    +0.039 A 
ATOM     10  N   LIG    1       -1.206  -1.803   0.525  0.00  0.00    -0.256 NA
ATOM     11  C   LIG    1       -1.739  -1.212  -0.571  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1       -3.013  -0.646  -0.559  0.00  0.00    +0.032 A 
ATOM     13  C   LIG    1       -3.772  -0.692   0.612  0.00  0.00    -0.012 A 
ATOM     14  C   LIG    1       -3.226  -1.310   1.737  0.00  0.00    +0.031 A 
BRANCH  13  15
ATOM     15  C   LIG    1       -5.105  -0.118   0.668  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -5.529   0.985  -0.046  0.00  0.00    +0.116 A 
ATOM     17  N   LIG    1       -6.828   1.200   0.314  0.00  0.00    -0.274 N 
ATOM     18  C   LIG    1       -7.700   2.246  -0.161  0.00  0.00    +0.172 C 
ATOM     19  N   LIG    1       -7.287   0.314   1.215  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1       -6.238  -0.483   1.432  0.00  0.00    +0.142 A 
ENDBRANCH  13  15
ENDBRANCH   1  11
BRANCH   4  21
ATOM     21  C   LIG    1        3.169   1.018  -0.636  0.00  0.00    +0.122 A 
ATOM     22  N   LIG    1        3.349   0.350   0.538  0.00  0.00    -0.271 N 
ATOM     23  H   LIG    1        2.647  -0.125   1.093  0.00  0.00    +0.189 HD
ATOM     24  N   LIG    1        4.610   0.355   0.989  0.00  0.00    -0.158 NA
ATOM     25  C   LIG    1        5.276   1.123   0.120  0.00  0.00    +0.143 A 
ATOM     26  C   LIG    1        4.406   1.571  -0.906  0.00  0.00    +0.077 A 
BRANCH  25  27
ATOM     27  N   LIG    1        6.604   1.418   0.201  0.00  0.00    -0.320 N 
ATOM     28  C   LIG    1        7.139   2.583  -0.491  0.00  0.00    +0.130 C 
ATOM     29  C   LIG    1        7.306   1.037   1.424  0.00  0.00    +0.130 C 
ENDBRANCH  25  27
ENDBRANCH   4  21
TORSDOF 4