REMARK  Name = BDB053214
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.378   0.962  -1.226  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.915   0.266  -0.329  0.00  0.00    +0.248 C 
ATOM      3  N   LIG    1        1.648  -0.483   0.567  0.00  0.00    -0.277 N 
ATOM      4  H   LIG    1        1.152  -1.100   1.206  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        3.021  -0.576   0.687  0.00  0.00    +0.099 A 
ATOM      6  C   LIG    1        3.508  -1.516   1.762  0.00  0.00    +0.270 A 
ATOM      7  O   LIG    1        2.711  -2.137   2.463  0.00  0.00    -0.266 OA
ATOM      8  N   LIG    1        4.867  -1.629   1.909  0.00  0.00    -0.327 N 
ATOM      9  H   LIG    1        5.184  -2.258   2.637  0.00  0.00    +0.168 HD
ATOM     10  C   LIG    1        5.777  -0.942   1.147  0.00  0.00    +0.094 A 
ATOM     11  C   LIG    1        5.373  -0.099   0.180  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        3.942   0.078  -0.040  0.00  0.00    +0.038 A 
BRANCH  11  13
ATOM     13  C   LIG    1        6.394   0.621  -0.604  0.00  0.00    -0.014 A 
ATOM     14  C   LIG    1        7.261  -0.067  -1.456  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1        8.198   0.663  -2.168  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        8.325   2.004  -2.089  0.00  0.00    -0.263 NA
ATOM     17  C   LIG    1        7.467   2.648  -1.268  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        6.496   2.010  -0.515  0.00  0.00    +0.028 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1       -0.566   0.173  -0.182  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -1.186  -0.033   1.051  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1       -2.585  -0.110   1.130  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -3.409   0.021  -0.001  0.00  0.00    +0.030 A 
ATOM     23  C   LIG    1       -2.756   0.244  -1.225  0.00  0.00    +0.024 A 
ATOM     24  C   LIG    1       -1.360   0.326  -1.320  0.00  0.00    +0.015 A 
BRANCH  22  25
ATOM     25  N   LIG    1       -4.791  -0.063   0.087  0.00  0.00    -0.330 N 
ATOM     26  C   LIG    1       -5.603  -0.393  -1.089  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1       -6.902  -1.075  -0.668  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -7.736  -0.203   0.267  0.00  0.00    +0.003 C 
ATOM     29  C   LIG    1       -6.885   0.761   1.088  0.00  0.00    +0.019 C 
ATOM     30  C   LIG    1       -5.483   0.215   1.351  0.00  0.00    +0.105 C 
ENDBRANCH  22  25
ENDBRANCH   2  19
TORSDOF 4