REMARK  Name = BDB049633
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.667  -0.199   0.147  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1        1.664   0.558   0.796  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.936   0.350   0.308  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        3.083  -0.535  -0.152  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        1.392   1.321   1.719  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        4.109   1.062   0.630  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        4.119   2.277   1.315  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1        5.326   2.932   1.581  0.00  0.00    +0.005 A 
ATOM      9  C   LIG    1        6.544   2.380   1.170  0.00  0.00    -0.050 A 
ATOM     10  C   LIG    1        7.832   3.101   1.430  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        6.533   1.175   0.463  0.00  0.00    +0.005 A 
ATOM     12  C   LIG    1        5.326   0.521   0.197  0.00  0.00    +0.023 A 
ENDBRANCH   3   6
BRANCH   1  16
ATOM     13  N   LIG    1       -3.529   0.157   0.886  0.00  0.00    -0.300 NA
ATOM     14  C   LIG    1       -2.792   1.399   0.640  0.00  0.00    +0.086 C 
ATOM     15  C   LIG    1       -1.406   1.185   0.025  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -0.717  -0.034   0.650  0.00  0.00    +0.080 C 
ATOM     17  C   LIG    1       -1.588  -1.300   0.528  0.00  0.00    +0.038 C 
ATOM     18  C   LIG    1       -3.039  -0.993   0.142  0.00  0.00    +0.086 C 
BRANCH  13  19
ATOM     19  C   LIG    1       -4.987   0.333   0.959  0.00  0.00    +0.054 C 
ATOM     20  C   LIG    1       -5.526  -0.593   2.061  0.00  0.00    +0.024 C 
BRANCH  19  21
ATOM     21  C   LIG    1       -5.787   0.095  -0.344  0.00  0.00    +0.018 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -6.364   0.846  -2.679  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1       -5.463   1.073  -1.474  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  13  19
ENDBRANCH   1  16
BRANCH   1  24
ATOM     24  C   LIG    1        0.844  -0.654  -1.240  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.607  -1.954  -1.391  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1        1.654  -2.922  -0.376  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        2.364  -4.110  -0.558  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.027  -4.351  -1.759  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        2.979  -3.407  -2.781  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        2.270  -2.218  -2.600  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH   1  24
TORSDOF 7