REMARK  Name = BDB051722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.115  -1.194   0.031  0.00  0.00    -0.258 N 
ATOM      2  C   LIG    1       -1.036  -2.035   0.054  0.00  0.00    +0.092 A 
ATOM      3  C   LIG    1        0.389  -1.754   0.097  0.00  0.00    +0.097 A 
ATOM      4  C   LIG    1        1.245  -2.825   0.298  0.00  0.00    -0.001 A 
ATOM      5  C   LIG    1        0.728  -4.216   0.560  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.653  -4.509  -0.080  0.00  0.00    +0.044 C 
ATOM      7  C   LIG    1        2.575  -2.492   0.323  0.00  0.00    +0.120 A 
ATOM      8  N   LIG    1        3.025  -1.237   0.136  0.00  0.00    -0.223 NA
ATOM      9  C   LIG    1        2.111  -0.278  -0.084  0.00  0.00    +0.216 A 
ATOM     10  N   LIG    1        0.792  -0.492  -0.100  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1       -1.552  -3.319  -0.009  0.00  0.00    +0.012 A 
ATOM     12  C   LIG    1       -2.962  -3.166  -0.096  0.00  0.00    +0.151 A 
ATOM     13  N   LIG    1       -3.288  -1.861  -0.069  0.00  0.00    -0.165 NA
ENDROOT
BRANCH   1  18
ATOM     14  C   LIG    1       -2.914   4.386  -0.303  0.00  0.00    +0.104 C 
ATOM     15  N   LIG    1       -2.533   2.982  -0.165  0.00  0.00    -0.305 NA
ATOM     16  C   LIG    1       -3.245   2.355   0.961  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -3.338   0.830   0.852  0.00  0.00    +0.042 C 
ATOM     18  C   LIG    1       -2.134   0.266   0.085  0.00  0.00    +0.110 C 
ATOM     19  C   LIG    1       -2.060   0.874  -1.325  0.00  0.00    +0.042 C 
ATOM     20  C   LIG    1       -2.738   2.244  -1.411  0.00  0.00    +0.086 C 
ENDBRANCH   1  18
BRANCH  12  21
ATOM     21  C   LIG    1       -4.002  -4.200  -0.211  0.00  0.00    +0.262 C 
ATOM     22  O   LIG    1       -5.040  -4.084  -0.856  0.00  0.00    -0.269 OA
ATOM     23  N   LIG    1       -3.777  -5.347   0.509  0.00  0.00    -0.324 N 
ATOM     24  H   LIG    1       -3.177  -5.299   1.319  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1       -4.587  -5.951   0.573  0.00  0.00    +0.145 HD
ENDBRANCH  12  21
BRANCH   9  26
ATOM     26  N   LIG    1        2.498   1.036  -0.309  0.00  0.00    -0.311 N 
ATOM     27  H   LIG    1        1.662   1.590  -0.150  0.00  0.00    +0.149 HD
BRANCH  26  28
ATOM     28  C   LIG    1        3.684   1.472   0.408  0.00  0.00    +0.073 C 
ATOM     29  C   LIG    1        3.694   3.005   0.511  0.00  0.00    +0.022 C 
ATOM     30  C   LIG    1        5.162   3.383   0.413  0.00  0.00    +0.002 C 
ATOM     31  C   LIG    1        5.677   2.435  -0.653  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        4.977   1.114  -0.348  0.00  0.00    +0.022 C 
ENDBRANCH  26  28
ENDBRANCH   9  26
TORSDOF 4