REMARK  Name = BDB061316
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.467  -0.923   0.697  0.00  0.00    +0.123 C 
ATOM      2  C   LIG    1        1.826  -1.082   0.104  0.00  0.00    +0.188 C 
ATOM      3  N   LIG    1        2.444   0.181   0.418  0.00  0.00    -0.260 N 
ATOM      4  C   LIG    1        1.560   1.003   1.116  0.00  0.00    +0.251 C 
ATOM      5  O   LIG    1        1.709   2.134   1.549  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        0.290   0.261   1.294  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.780   0.491   0.036  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        4.372   1.726   0.335  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        5.694   2.033  -0.044  0.00  0.00    -0.016 A 
ATOM     10  C   LIG    1        6.454   1.075  -0.745  0.00  0.00    -0.018 A 
ATOM     11  C   LIG    1        7.773   1.379  -1.124  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        8.335   2.618  -0.812  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        7.586   3.565  -0.120  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        5.872  -0.161  -1.048  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        6.275   3.275   0.262  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1        4.556  -0.446  -0.662  0.00  0.00    +0.024 A 
ENDBRANCH   3   7
BRANCH   1  18
ATOM     17  C   LIG    1       -0.551  -2.649  -0.527  0.00  0.00    +0.276 C 
ATOM     18  O   LIG    1       -0.452  -1.941   0.704  0.00  0.00    -0.497 OA
ENDBRANCH   1  18
BRANCH   6  19
ATOM     19  C   LIG    1       -0.840   0.895   2.030  0.00  0.00    +0.086 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.177   0.203   1.997  0.00  0.00    -0.005 A 
ATOM     21  S   LIG    1       -3.278   0.510   0.724  0.00  0.00    -0.093 S 
ATOM     22  C   LIG    1       -4.443  -0.582   1.356  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -3.994  -1.151   2.534  0.00  0.00    +0.016 A 
ATOM     24  C   LIG    1       -2.692  -0.702   2.901  0.00  0.00    +0.012 A 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.723  -0.785   0.668  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -5.818  -0.881  -0.726  0.00  0.00    +0.027 A 
ATOM     27  C   LIG    1       -7.066  -1.082  -1.324  0.00  0.00    +0.077 A 
ATOM     28  C   LIG    1       -8.180  -1.223  -0.511  0.00  0.00    +0.125 A 
ATOM     29  N   LIG    1       -8.130  -1.133   0.838  0.00  0.00    -0.262 NA
ATOM     30  C   LIG    1       -6.911  -0.916   1.391  0.00  0.00    +0.119 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -7.237  -1.195  -2.782  0.00  0.00    +0.338 C 
ATOM     32  O   LIG    1       -8.027  -1.967  -3.296  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1       -6.461  -0.342  -3.482  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1       -6.008   0.344  -2.955  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  27  31
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 7