REMARK  Name = BDB017352
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.123  -0.602  -0.546  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1       -1.155  -0.198  -1.481  0.00  0.00    +0.152 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.347  -1.286  -0.302  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1       -3.537  -0.589   0.003  0.00  0.00    +0.042 A 
ATOM      5  C   LIG    1       -4.707  -1.363   0.049  0.00  0.00    +0.143 A 
ATOM      6  N   LIG    1       -5.933  -0.758   0.286  0.00  0.00    -0.307 N 
ATOM      7  H   LIG    1       -6.746  -1.356   0.283  0.00  0.00    +0.170 HD
ATOM      8  C   LIG    1       -6.112   0.575   0.470  0.00  0.00    +0.255 A 
ATOM      9  C   LIG    1       -4.883   1.413   0.482  0.00  0.00    +0.035 A 
ATOM     10  C   LIG    1       -5.114   2.878   0.744  0.00  0.00    +0.122 C 
ATOM     11  N   LIG    1       -3.941   3.729   0.484  0.00  0.00    -0.312 NA
ATOM     12  H   LIG    1       -3.823   3.809  -0.526  0.00  0.00    +0.122 HD
ATOM     13  C   LIG    1       -2.745   3.118   1.066  0.00  0.00    +0.086 C 
ATOM     14  C   LIG    1       -2.439   1.748   0.438  0.00  0.00    +0.051 C 
ATOM     15  O   LIG    1       -7.226   1.060   0.635  0.00  0.00    -0.268 OA
ATOM     16  N   LIG    1       -4.773  -2.697  -0.152  0.00  0.00    -0.237 NA
ATOM     17  C   LIG    1       -3.620  -3.322  -0.440  0.00  0.00    +0.115 A 
ATOM     18  C   LIG    1       -3.661   0.868   0.292  0.00  0.00    -0.024 A 
ATOM     19  C   LIG    1       -2.408  -2.669  -0.542  0.00  0.00    +0.043 A 
ENDBRANCH   1   3
BRANCH   1  23
ATOM     20  C   LIG    1        2.833  -1.757   0.469  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        1.749  -2.194   1.237  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1        0.441  -1.823   0.906  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1        0.181  -1.044  -0.225  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1        1.269  -0.601  -0.983  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1        2.581  -0.971  -0.653  0.00  0.00    +0.025 A 
BRANCH  20  28
ATOM     26  O   LIG    1        6.322  -2.582   0.677  0.00  0.00    -0.270 OA
ATOM     27  C   LIG    1        5.375  -1.823   0.473  0.00  0.00    +0.248 C 
ATOM     28  N   LIG    1        4.110  -2.193   0.866  0.00  0.00    -0.282 N 
ATOM     29  H   LIG    1        4.137  -2.999   1.480  0.00  0.00    +0.155 HD
BRANCH  27  30
ATOM     30  C   LIG    1        5.652  -0.491  -0.105  0.00  0.00    +0.037 A 
ATOM     31  C   LIG    1        5.149   0.672   0.490  0.00  0.00    +0.013 A 
ATOM     32  C   LIG    1        5.454   1.918  -0.059  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        6.273   2.003  -1.186  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1        6.799   0.846  -1.761  0.00  0.00    +0.001 A 
ATOM     35  C   LIG    1        6.497  -0.403  -1.217  0.00  0.00    +0.013 A 
ENDBRANCH  27  30
ENDBRANCH  20  28
ENDBRANCH   1  23
TORSDOF 4