REMARK  Name = BDB005017
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.711  -2.164   0.734  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   1   4
ATOM      2  C   LIG    1        1.879  -1.216  -0.220  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1        0.757  -1.645   0.508  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1       -0.518  -1.716  -0.079  0.00  0.00    -0.029 A 
ATOM      5  C   LIG    1       -0.668  -1.331  -1.415  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1        0.434  -0.897  -2.149  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        1.697  -0.842  -1.554  0.00  0.00    +0.023 A 
BRANCH   2   8
ATOM      8  N   LIG    1        3.125  -1.189   0.435  0.00  0.00    -0.299 N 
ATOM      9  H   LIG    1        3.092  -0.656   1.300  0.00  0.00    +0.154 HD
BRANCH   8  13
ATOM     10  C   LIG    1        7.039  -0.810  -0.935  0.00  0.00    -0.015 A 
ATOM     11  C   LIG    1        6.547  -0.199   0.212  0.00  0.00    +0.117 A 
ATOM     12  N   LIG    1        5.276  -0.327   0.656  0.00  0.00    -0.240 NA
ATOM     13  C   LIG    1        4.420  -1.071  -0.075  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1        4.830  -1.726  -1.231  0.00  0.00    +0.044 A 
ATOM     15  C   LIG    1        6.146  -1.589  -1.670  0.00  0.00    +0.009 A 
BRANCH  10  16
ATOM     16  C   LIG    1        8.464  -0.613  -1.372  0.00  0.00    +0.155 C 
BRANCH  16  18
ATOM     17  N   LIG    1        8.796   1.530  -2.861  0.00  0.00    -0.196 NA
ATOM     18  C   LIG    1        8.639   0.585  -2.204  0.00  0.00    +0.067 C 
ENDBRANCH  16  18
ENDBRANCH  10  16
ENDBRANCH   8  13
ENDBRANCH   2   8
ENDBRANCH   1   4
BRANCH   1  19
ATOM     19  N   LIG    1       -2.298  -1.036   1.452  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.583  -0.351   1.682  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.382  -0.370   0.844  0.00  0.00    +0.130 A 
ATOM     22  C   LIG    1       -3.954   0.750   1.488  0.00  0.00    +0.041 A 
ATOM     23  C   LIG    1       -5.029   1.378   0.829  0.00  0.00    +0.088 A 
ATOM     24  C   LIG    1       -5.603   2.511   1.446  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -5.128   2.991   2.682  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -4.082   2.356   3.331  0.00  0.00    +0.002 A 
ATOM     27  N   LIG    1       -5.483   0.896  -0.349  0.00  0.00    -0.235 NA
ATOM     28  C   LIG    1       -4.891  -0.193  -0.851  0.00  0.00    +0.223 A 
ATOM     29  C   LIG    1       -3.502   1.243   2.739  0.00  0.00    +0.013 A 
ATOM     30  N   LIG    1       -3.867  -0.850  -0.311  0.00  0.00    -0.220 NA
BRANCH  24  31
ATOM     31  C   LIG    1       -6.742   3.281   0.854  0.00  0.00    +0.244 C 
ATOM     32  O   LIG    1       -7.207   4.270   1.411  0.00  0.00    -0.270 OA
ATOM     33  N   LIG    1       -7.264   2.863  -0.333  0.00  0.00    -0.325 N 
ATOM     34  H   LIG    1       -8.027   3.380  -0.744  0.00  0.00    +0.145 HD
ATOM     35  H   LIG    1       -6.885   2.050  -0.811  0.00  0.00    +0.145 HD
ENDBRANCH  24  31
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8