REMARK  Name = BDB016129
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.487  -1.434  -0.301  0.00  0.00    -0.002 A 
ATOM      2  C   LIG    1       -1.730  -0.929   0.199  0.00  0.00    +0.056 A 
ATOM      3  N   LIG    1       -1.664   0.153   1.102  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.831   0.712   0.921  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.837   0.986   1.323  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -3.836   0.211   2.153  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -4.731  -0.580   1.258  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -4.226  -1.358   0.269  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.967  -1.887  -0.174  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -5.953  -0.579   1.434  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -2.393   2.243   2.078  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.912  -1.609  -0.179  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -2.836  -2.665  -1.112  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -1.621  -3.109  -1.624  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -0.447  -2.506  -1.205  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  17
ATOM     16  C   LIG    1        1.678  -0.309  -0.715  0.00  0.00    +0.011 C 
ATOM     17  C   LIG    1        0.804  -0.865   0.140  0.00  0.00    +0.010 C 
BRANCH  16  19
ATOM     18  C   LIG    1        3.695   0.951  -1.268  0.00  0.00    +0.076 C 
ATOM     19  C   LIG    1        2.952   0.296  -0.356  0.00  0.00    +0.006 C 
BRANCH  18  21
ATOM     20  C   LIG    1        5.777   1.915  -2.253  0.00  0.00    +0.125 C 
ATOM     21  N   LIG    1        4.945   1.522  -1.134  0.00  0.00    -0.352 N 
ATOM     22  H   LIG    1        5.468   1.189  -0.320  0.00  0.00    +0.145 HD
ENDBRANCH  18  21
BRANCH  19  23
ATOM     23  C   LIG    1        3.514   0.137   1.018  0.00  0.00    +0.110 C 
ATOM     24  N   LIG    1        4.160   1.041   1.680  0.00  0.00    -0.307 NA
ATOM     25  H   LIG    1        4.200   1.901   1.113  0.00  0.00    +0.186 HD
ENDBRANCH  19  23
ENDBRANCH  16  19
ENDBRANCH   1  17
TORSDOF 4