REMARK  Name = BDB054429
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.145  -2.607  -0.099  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -1.179  -1.757   0.001  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -2.431  -2.229   0.192  0.00  0.00    +0.159 A 
ATOM      4  C   LIG    1       -2.633  -3.593   0.281  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1       -1.537  -4.413   0.155  0.00  0.00    +0.150 A 
ATOM      6  N   LIG    1       -0.290  -3.940  -0.036  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.927  -4.176   0.517  0.00  0.00    +0.061 N 
ATOM      8  O   LIG    1       -4.725  -3.541   1.223  0.00  0.00    -0.126 OA
ATOM      9  O   LIG    1       -4.148  -5.293   0.030  0.00  0.00    -0.126 OA
ENDBRANCH   4   7
BRANCH   1  10
ATOM     10  N   LIG    1        1.156  -2.163  -0.308  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        1.773  -2.958  -0.391  0.00  0.00    +0.155 HD
BRANCH  10  15
ATOM     12  C   LIG    1        3.070   1.615  -0.404  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        1.747   1.514   0.025  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        1.099   0.274   0.075  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        1.756  -0.900  -0.295  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        3.084  -0.783  -0.737  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1        3.738   0.457  -0.789  0.00  0.00    +0.047 A 
BRANCH  12  18
ATOM     18  O   LIG    1        3.574   2.885  -0.402  0.00  0.00    -0.481 OA
BRANCH  18  19
ATOM     19  C   LIG    1        4.932   3.067  -0.766  0.00  0.00    +0.349 C 
BRANCH  19  21
ATOM     20  O   LIG    1        6.932   1.934   0.064  0.00  0.00    -0.247 OA
ATOM     21  C   LIG    1        5.947   2.627   0.274  0.00  0.00    +0.343 C 
BRANCH  21  22
ATOM     22  O   LIG    1        5.697   3.104   1.510  0.00  0.00    -0.478 OA
ATOM     23  H   LIG    1        6.406   2.727   2.070  0.00  0.00    +0.295 HD
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  12  18
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   3  24
ATOM     24  N   LIG    1       -3.516  -1.322   0.234  0.00  0.00    -0.297 N 
ATOM     25  H   LIG    1       -4.189  -1.583   0.955  0.00  0.00    +0.154 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -3.550   0.060  -0.049  0.00  0.00    +0.032 A 
ATOM     27  C   LIG    1       -2.663   0.682  -0.935  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -2.757   2.050  -1.212  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.757   2.815  -0.620  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -4.669   2.211   0.240  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -4.570   0.843   0.515  0.00  0.00    +0.023 A 
ENDBRANCH  24  26
ENDBRANCH   3  24
TORSDOF 9