REMARK  Name = BDB063882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.252  -2.980   1.768  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        0.218  -1.980   1.079  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        1.347  -1.166   0.556  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.623  -1.472   0.822  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        0.846  -0.112  -0.176  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1       -0.447  -0.251  -0.117  0.00  0.00    +0.188 C 
ATOM      7  N   LIG    1       -0.864  -1.319   0.598  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1       -1.804  -1.624   0.763  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        3.815  -0.734   0.374  0.00  0.00    -0.022 A 
ATOM     10  C   LIG    1        4.926  -0.687   1.232  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1        6.086  -0.015   0.808  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1        6.171   0.596  -0.445  0.00  0.00    +0.078 A 
ATOM     13  N   LIG    1        7.377   1.220  -0.724  0.00  0.00    -0.247 NA
ATOM     14  C   LIG    1        8.186   1.081   0.301  0.00  0.00    +0.157 A 
ATOM     15  C   LIG    1        5.057   0.528  -1.303  0.00  0.00    +0.029 A 
ATOM     16  S   LIG    1        7.577   0.212   1.644  0.00  0.00    -0.075 S 
ATOM     17  C   LIG    1        3.897  -0.139  -0.888  0.00  0.00    +0.010 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1       -1.287   0.618  -0.732  0.00  0.00    -0.314 N 
ATOM     19  H   LIG    1       -0.784   1.400  -1.143  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.709   0.839  -0.556  0.00  0.00    +0.075 C 
ATOM     21  C   LIG    1       -3.544  -0.309  -1.124  0.00  0.00    +0.053 C 
ATOM     22  C   LIG    1       -5.039  -0.043  -0.946  0.00  0.00    +0.116 C 
ATOM     23  C   LIG    1       -5.388   0.256   0.511  0.00  0.00    +0.031 C 
ATOM     24  C   LIG    1       -4.560   1.409   1.066  0.00  0.00    +0.004 C 
ATOM     25  C   LIG    1       -3.063   1.154   0.901  0.00  0.00    +0.022 C 
BRANCH  22  26
ATOM     26  O   LIG    1       -5.754  -1.196  -1.377  0.00  0.00    -0.392 OA
ATOM     27  H   LIG    1       -6.705  -1.006  -1.295  0.00  0.00    +0.210 HD
ENDBRANCH  22  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4