REMARK  Name = BDB017517
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.425  -0.378  -0.668  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.107  -0.306  -0.402  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -0.673  -0.978  -1.252  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.072  -1.083  -1.227  0.00  0.00    -0.273 N 
ATOM      5  C   LIG    1       -2.487  -1.898  -2.304  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -1.313  -2.274  -2.988  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -1.242  -3.109  -4.152  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -3.628  -2.223  -2.589  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -0.225  -1.705  -2.330  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1        1.114  -1.734  -2.534  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        1.952  -1.072  -1.707  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.949  -0.479  -0.242  0.00  0.00    +0.094 C 
ATOM     13  C   LIG    1       -2.915   1.060  -0.286  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -3.262   1.715   1.058  0.00  0.00    +0.036 C 
ATOM     15  C   LIG    1       -4.276   0.896   1.864  0.00  0.00    +0.063 C 
ATOM     16  C   LIG    1       -4.680   1.632   3.142  0.00  0.00    +0.041 C 
ATOM     17  C   LIG    1       -3.726  -0.506   2.188  0.00  0.00    +0.036 C 
ATOM     18  C   LIG    1       -2.699  -1.019   1.170  0.00  0.00    +0.028 C 
BRANCH  15  19
ATOM     19  O   LIG    1       -5.447   0.756   1.055  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -6.125   0.290   1.574  0.00  0.00    +0.210 HD
ENDBRANCH  15  19
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1        2.230   0.331   0.222  0.00  0.00    -0.282 N 
ATOM     22  H   LIG    1        1.639   0.783   0.904  0.00  0.00    +0.155 HD
BRANCH  21  25
ATOM     23  C   LIG    1        3.162   2.027   2.358  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1        4.122   1.381   1.394  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1        3.593   0.512   0.302  0.00  0.00    +0.055 A 
ATOM     26  C   LIG    1        4.511  -0.033  -0.525  0.00  0.00    +0.138 A 
ATOM     27  N   LIG    1        5.871   0.205  -0.365  0.00  0.00    -0.219 N 
ATOM     28  C   LIG    1        6.377   1.012   0.648  0.00  0.00    +0.156 A 
ATOM     29  N   LIG    1        7.688   1.070   0.575  0.00  0.00    -0.215 NA
ATOM     30  C   LIG    1        7.960   0.281  -0.502  0.00  0.00    +0.246 A 
ATOM     31  N   LIG    1        6.906  -0.266  -1.106  0.00  0.00    -0.154 NA
ATOM     32  C   LIG    1        5.449   1.603   1.538  0.00  0.00    +0.053 A 
ENDBRANCH  21  25
ENDBRANCH   1  21
TORSDOF 4