REMARK  Name = BDB052428
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.403  -0.636  -2.889  0.00  0.00    +0.173 C 
ATOM      2  N   LIG    1       -2.415  -0.496  -1.869  0.00  0.00    -0.264 N 
ATOM      3  C   LIG    1       -2.244  -0.182  -0.553  0.00  0.00    +0.091 A 
ATOM      4  C   LIG    1       -1.032   0.085   0.198  0.00  0.00    +0.097 A 
ATOM      5  C   LIG    1       -1.179   0.523   1.504  0.00  0.00    -0.001 A 
ATOM      6  C   LIG    1       -2.534   0.819   2.097  0.00  0.00    +0.043 C 
ATOM      7  C   LIG    1       -3.701   0.010   1.475  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        0.004   0.750   2.157  0.00  0.00    +0.120 A 
ATOM      9  N   LIG    1        1.210   0.545   1.593  0.00  0.00    -0.222 NA
ATOM     10  C   LIG    1        1.246   0.110   0.323  0.00  0.00    +0.220 A 
ATOM     11  N   LIG    1        0.145  -0.129  -0.406  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1       -3.508  -0.194   0.009  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -4.397  -0.518  -1.053  0.00  0.00    +0.151 A 
ATOM     14  N   LIG    1       -3.709  -0.683  -2.200  0.00  0.00    -0.166 NA
ENDROOT
BRANCH  13  15
ATOM     15  C   LIG    1       -5.859  -0.680  -1.018  0.00  0.00    +0.262 C 
ATOM     16  O   LIG    1       -6.492  -1.500  -1.675  0.00  0.00    -0.269 OA
ATOM     17  N   LIG    1       -6.530   0.202  -0.208  0.00  0.00    -0.324 N 
ATOM     18  H   LIG    1       -7.531   0.205  -0.355  0.00  0.00    +0.145 HD
ATOM     19  H   LIG    1       -6.096   1.091  -0.001  0.00  0.00    +0.145 HD
ENDBRANCH  13  15
BRANCH  10  20
ATOM     20  N   LIG    1        2.445  -0.144  -0.336  0.00  0.00    -0.282 N 
ATOM     21  H   LIG    1        2.231  -0.438  -1.288  0.00  0.00    +0.155 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.802   0.074  -0.045  0.00  0.00    +0.064 A 
ATOM     23  C   LIG    1        4.838  -0.409  -0.883  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1        6.199  -0.226  -0.567  0.00  0.00    +0.034 A 
ATOM     25  C   LIG    1        6.556   0.436   0.603  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        5.562   0.908   1.450  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        4.210   0.724   1.132  0.00  0.00    +0.025 A 
BRANCH  23  28
ATOM     28  N   LIG    1        4.532  -1.127  -2.127  0.00  0.00    +0.058 N 
ATOM     29  O   LIG    1        5.398  -1.889  -2.581  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1        3.429  -0.926  -2.661  0.00  0.00    -0.126 OA
ENDBRANCH  23  28
ENDBRANCH  20  22
ENDBRANCH  10  20
TORSDOF 4