REMARK  Name = BDB064474
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.743  -2.743  -0.627  0.00  0.00    +0.279 C 
ATOM      2  C   LIG    1        0.809  -3.128   0.873  0.00  0.00    +0.260 C 
ATOM      3  O   LIG    1        0.764  -4.298   1.263  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1        0.943  -2.137   1.809  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1        0.746  -2.460   2.748  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1        1.230  -0.784   1.596  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1        1.897  -0.280   0.470  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1        2.049   1.112   0.326  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        1.615   1.984   1.324  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        1.032   1.475   2.478  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        2.551  -1.164  -0.547  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1        0.841   0.099   2.613  0.00  0.00    +0.024 A 
ATOM     13  N   LIG    1        2.035  -2.228  -1.059  0.00  0.00    -0.251 NA
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1        3.921  -0.794  -1.029  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.235  -0.959  -2.383  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1        5.506  -0.625  -2.852  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.469  -0.136  -1.969  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        6.167   0.011  -0.615  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        4.897  -0.323  -0.141  0.00  0.00    +0.010 A 
ENDBRANCH  11  14
BRANCH   1  22
ATOM     20  O   LIG    1       -1.991  -3.183  -0.432  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1       -1.595  -2.176  -1.006  0.00  0.00    +0.253 C 
ATOM     22  N   LIG    1       -0.271  -1.792  -1.008  0.00  0.00    -0.282 N 
ATOM     23  H   LIG    1        0.006  -1.180  -1.760  0.00  0.00    +0.152 HD
BRANCH  21  24
ATOM     24  C   LIG    1       -2.446  -1.283  -1.769  0.00  0.00    +0.078 A 
ATOM     25  C   LIG    1       -2.650   0.082  -1.615  0.00  0.00    -0.014 A 
ATOM     26  C   LIG    1       -3.513   0.581  -2.654  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -3.962  -0.408  -3.498  0.00  0.00    +0.046 A 
ATOM     28  S   LIG    1       -3.350  -1.940  -3.065  0.00  0.00    -0.092 S 
BRANCH  25  29
ATOM     29  C   LIG    1       -2.071   0.935  -0.514  0.00  0.00    +0.121 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -3.140   1.685   0.162  0.00  0.00    -0.294 NA
ATOM     31  C   LIG    1       -2.595   2.713   1.073  0.00  0.00    +0.113 C 
ATOM     32  C   LIG    1       -2.636   2.307   2.554  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1       -3.962   2.041   3.024  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -4.827   1.528   2.001  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1       -4.067   0.785   0.891  0.00  0.00    +0.113 C 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 5