REMARK  Name = BDB063889
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.884  -3.886  -1.237  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.770  -2.768  -0.779  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.817  -1.734  -0.558  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        3.097  -1.939  -0.895  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        1.240  -0.612  -0.002  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.021  -0.910   0.104  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.350  -2.144  -0.337  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.251  -2.585  -0.310  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        4.209  -0.988  -0.738  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.304  -0.126   0.366  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        5.415   0.732   0.466  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.430   0.742  -0.492  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.460   1.639  -0.261  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        7.225   2.293   0.854  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        6.332  -0.139  -1.586  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        5.787   1.889   1.688  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        5.229  -0.996  -1.694  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -0.937  -0.050   0.619  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.525   0.866   0.785  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.361  -0.031   0.307  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1       -3.088   0.664   1.465  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -4.495   1.196   1.189  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1       -5.361   0.312   0.293  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -5.152   0.588  -1.194  0.00  0.00    +0.003 C 
ATOM     25  C   LIG    1       -3.825   0.114  -1.772  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -2.577   0.635  -1.059  0.00  0.00    +0.022 C 
BRANCH  22  27
ATOM     27  O   LIG    1       -5.165   1.331   2.445  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1       -4.658   1.957   2.990  0.00  0.00    +0.210 HD
ENDBRANCH  22  27
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4