REMARK  Name = BDB028241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.274  -0.340   0.453  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1       -2.241   0.412  -0.242  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1       -3.149  -0.205  -1.115  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.102  -1.583  -1.290  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -4.075  -2.229  -2.185  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.986  -1.397  -2.788  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.668  -1.825  -3.407  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -5.051  -0.045  -2.652  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -4.065  -3.441  -2.373  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -2.149  -2.351  -0.614  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -4.186   0.539  -1.875  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1       -1.242  -1.730   0.248  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1        1.931   0.716   2.171  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1        1.056   0.074   1.293  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1       -0.325   0.310   1.370  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.748   1.194   2.367  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1        0.070   1.823   3.246  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        1.391   1.560   3.130  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1        3.291   0.525   2.191  0.00  0.00    -0.454 OA
BRANCH  19  22
ATOM     20  C   LIG    1        4.711  -1.905   1.832  0.00  0.00    +0.047 C 
ATOM     21  C   LIG    1        4.648  -0.842   0.774  0.00  0.00    -0.008 A 
ATOM     22  C   LIG    1        3.918   0.339   0.979  0.00  0.00    +0.131 A 
ATOM     23  C   LIG    1        3.886   1.340   0.003  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        4.550   1.150  -1.208  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        5.255  -0.030  -1.435  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        5.307  -1.019  -0.450  0.00  0.00    +0.007 A 
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  27
ATOM     27  C   LIG    1       -4.273   2.058  -1.755  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.901   2.406  -0.478  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -5.054   3.414  -0.451  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -5.836   1.992  -0.460  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH  11  27
TORSDOF 5