REMARK  Name = BDB012994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.622  -1.896   1.091  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -1.715  -1.056   0.841  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -2.899  -1.566   0.287  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -2.970  -2.932  -0.020  0.00  0.00    +0.005 A 
ATOM      5  C   LIG    1       -1.892  -3.776   0.247  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.720  -3.264   0.808  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        0.518  -0.294   2.384  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        0.610  -1.294   1.674  0.00  0.00    +0.250 C 
ATOM      9  N   LIG    1        1.795  -1.910   1.338  0.00  0.00    -0.252 N 
ATOM     10  H   LIG    1        1.843  -2.679   0.685  0.00  0.00    +0.158 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.009  -1.470   1.798  0.00  0.00    +0.201 A 
ATOM     12  N   LIG    1        3.169  -0.408   2.651  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1        2.404   0.149   3.009  0.00  0.00    +0.169 HD
ATOM     14  C   LIG    1        4.507  -0.256   2.898  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        5.104  -1.269   2.155  0.00  0.00    +0.091 A 
ATOM     16  C   LIG    1        6.500  -1.404   2.182  0.00  0.00    +0.030 A 
ATOM     17  C   LIG    1        7.247  -0.508   2.958  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1        6.617   0.501   3.693  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1        5.226   0.651   3.679  0.00  0.00    +0.028 A 
ATOM     20  N   LIG    1        4.161  -2.010   1.481  0.00  0.00    -0.214 NA
ENDBRANCH   9  11
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -4.060  -0.647  -0.014  0.00  0.00    +0.182 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.923  -0.009  -1.318  0.00  0.00    -0.225 N 
ATOM     23  C   LIG    1       -4.483  -0.612  -2.434  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1       -5.141  -1.649  -2.426  0.00  0.00    -0.266 OA
ATOM     25  C   LIG    1       -4.243   0.070  -3.721  0.00  0.00    +0.074 A 
ATOM     26  C   LIG    1       -3.533   1.198  -3.784  0.00  0.00    +0.035 A 
ATOM     27  C   LIG    1       -3.007   1.731  -2.507  0.00  0.00    +0.094 A 
ATOM     28  N   LIG    1       -3.182   1.155  -1.358  0.00  0.00    -0.168 NA
BRANCH  27  29
ATOM     29  C   LIG    1       -2.218   2.983  -2.558  0.00  0.00    +0.038 A 
ATOM     30  C   LIG    1       -2.376   3.970  -3.510  0.00  0.00    +0.124 A 
ATOM     31  N   LIG    1       -1.647   5.108  -3.544  0.00  0.00    -0.243 NA
ATOM     32  C   LIG    1       -0.739   5.250  -2.565  0.00  0.00    +0.221 A 
ATOM     33  N   LIG    1       -0.506   4.372  -1.578  0.00  0.00    -0.243 NA
ATOM     34  C   LIG    1       -1.264   3.251  -1.595  0.00  0.00    +0.124 A 
ENDBRANCH  27  29
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5