REMARK  Name = BDB012871
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.489  -1.007   0.993  0.00  0.00    +0.092 C 
ATOM      2  C   LIG    1       -1.799  -0.676  -0.336  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -0.385  -0.567  -0.003  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1        0.526  -0.196  -0.980  0.00  0.00    +0.264 C 
ATOM      5  O   LIG    1        0.148   0.090  -2.114  0.00  0.00    -0.268 OA
ATOM      6  C   LIG    1       -0.196  -0.526   1.442  0.00  0.00    +0.110 C 
ATOM      7  C   LIG    1       -1.593  -0.305   2.010  0.00  0.00    +0.043 C 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1        1.918  -0.147  -0.614  0.00  0.00    +0.121 A 
ATOM      9  N   LIG    1        2.567  -1.035   0.196  0.00  0.00    -0.272 N 
ATOM     10  H   LIG    1        2.184  -1.860   0.642  0.00  0.00    +0.189 HD
ATOM     11  N   LIG    1        3.866  -0.757   0.391  0.00  0.00    -0.178 NA
ATOM     12  C   LIG    1        4.091   0.301  -0.399  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        2.908   0.707  -1.060  0.00  0.00    +0.057 A 
BRANCH  12  14
ATOM     14  C   LIG    1        5.458   0.914  -0.513  0.00  0.00    +0.033 C 
ATOM     15  C   LIG    1        6.477  -0.072  -1.087  0.00  0.00    +0.014 C 
ATOM     16  C   LIG    1        5.943   1.473   0.826  0.00  0.00    +0.014 C 
ENDBRANCH  12  14
ENDBRANCH   4   8
BRANCH   1  18
ATOM     17  C   LIG    1       -4.861  -1.252   0.393  0.00  0.00    +0.239 C 
ATOM     18  N   LIG    1       -3.865  -0.570   1.064  0.00  0.00    -0.309 N 
ATOM     19  H   LIG    1       -4.076   0.405   1.268  0.00  0.00    +0.149 HD
ATOM     20  O   LIG    1       -4.691  -2.334  -0.158  0.00  0.00    -0.273 OA
BRANCH  17  21
ATOM     21  C   LIG    1       -6.213  -0.536   0.432  0.00  0.00    +0.255 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -5.915   1.393  -0.899  0.00  0.00    +0.194 C 
ATOM     23  O   LIG    1       -6.079   0.885   0.421  0.00  0.00    -0.374 OA
ENDBRANCH  21  23
ENDBRANCH  17  21
ENDBRANCH   1  18
TORSDOF 5