REMARK  Name = BDB063795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.185   4.884   2.329  0.00  0.00    +0.044 C 
ATOM      2  C   LIG    1        1.333   3.841   1.256  0.00  0.00    -0.047 A 
ATOM      3  C   LIG    1        0.525   2.689   1.222  0.00  0.00    -0.038 A 
ATOM      4  C   LIG    1       -0.548   2.402   2.241  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -1.769   1.766   1.573  0.00  0.00    +0.113 C 
ATOM      6  N   LIG    1       -1.486   0.665   0.644  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -0.081   0.424   0.248  0.00  0.00    +0.124 C 
ATOM      8  C   LIG    1       -2.570  -0.113   0.246  0.00  0.00    +0.220 C 
ATOM      9  O   LIG    1       -3.698   0.095   0.699  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1        0.722   1.719   0.217  0.00  0.00    -0.022 A 
ATOM     11  C   LIG    1        1.680   1.937  -0.783  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1        2.456   3.092  -0.769  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        2.288   4.033   0.246  0.00  0.00    +0.003 A 
ENDROOT
BRANCH   8  14
ATOM     14  C   LIG    1       -2.350  -1.199  -0.824  0.00  0.00    +0.089 C 
ATOM     15  C   LIG    1       -3.424  -2.306  -0.758  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1       -4.813  -1.848  -1.235  0.00  0.00    +0.015 C 
ATOM     17  C   LIG    1       -4.772  -0.757  -2.303  0.00  0.00    +0.001 C 
ATOM     18  C   LIG    1       -3.484  -0.807  -3.108  0.00  0.00    +0.001 C 
ATOM     19  C   LIG    1       -2.261  -0.558  -2.224  0.00  0.00    +0.013 C 
BRANCH  15  20
ATOM     20  C   LIG    1       -3.450  -2.934   0.622  0.00  0.00    +0.309 C 
ATOM     21  O   LIG    1       -2.557  -2.887   1.454  0.00  0.00    -0.251 OA
BRANCH  20  22
ATOM     22  O   LIG    1       -4.547  -3.680   0.853  0.00  0.00    -0.480 OA
ATOM     23  H   LIG    1       -4.419  -4.015   1.764  0.00  0.00    +0.295 HD
ENDBRANCH  20  22
ENDBRANCH  15  20
ENDBRANCH   8  14
BRANCH   7  24
ATOM     24  C   LIG    1        0.576  -0.640   1.174  0.00  0.00    +0.144 C 
BRANCH  24  25
ATOM     25  N   LIG    1        1.913  -1.032   0.763  0.00  0.00    -0.232 N 
ATOM     26  C   LIG    1        3.044  -0.784   1.492  0.00  0.00    +0.254 C 
ATOM     27  O   LIG    1        3.164  -0.243   2.574  0.00  0.00    -0.270 OA
ATOM     28  C   LIG    1        4.161  -1.322   0.717  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1        3.640  -1.875  -0.439  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1        4.443  -2.470  -1.392  0.00  0.00    +0.014 A 
ATOM     31  C   LIG    1        5.819  -2.496  -1.141  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.350  -1.933   0.039  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1        5.515  -1.335   0.988  0.00  0.00    +0.014 A 
ATOM     34  C   LIG    1        2.192  -1.683  -0.406  0.00  0.00    +0.254 C 
ATOM     35  O   LIG    1        1.429  -2.027  -1.288  0.00  0.00    -0.270 OA
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 5