REMARK  Name = BDB063198
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.834   0.139  -1.902  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -0.201   0.863  -2.509  0.00  0.00    +0.083 A 
ATOM      3  C   LIG    1       -1.451   0.967  -1.868  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1       -1.704   0.373  -0.620  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1       -0.645  -0.355  -0.051  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.605  -0.469  -0.672  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.944   0.463   0.015  0.00  0.00    -0.330 N 
ATOM      8  C   LIG    1       -2.993   0.528   1.480  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1       -3.532  -0.787   2.042  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1       -5.046  -0.946   1.909  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -5.592  -0.801   0.488  0.00  0.00    +0.002 C 
ATOM     12  C   LIG    1       -5.459   0.620  -0.061  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -4.118   0.911  -0.741  0.00  0.00    +0.105 C 
ENDBRANCH   4   7
BRANCH   1  14
ATOM     14  N   LIG    1        2.157   0.076  -2.459  0.00  0.00    -0.215 N 
ATOM     15  H   LIG    1        2.184   0.102  -3.488  0.00  0.00    +0.174 HD
BRANCH  14  16
ATOM     16  S   LIG    1        3.258   1.251  -1.906  0.00  0.00    +0.072 S 
ATOM     17  O   LIG    1        4.356   1.269  -2.850  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1        2.535   2.459  -1.569  0.00  0.00    -0.150 OA
BRANCH  16  22
ATOM     19  C   LIG    1        4.882  -0.642   1.922  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        4.029   0.466   1.990  0.00  0.00    +0.047 A 
ATOM     21  C   LIG    1        3.529   1.055   0.828  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        3.880   0.519  -0.412  0.00  0.00    +0.109 A 
ATOM     23  C   LIG    1        4.739  -0.580  -0.496  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1        5.236  -1.162   0.675  0.00  0.00    +0.047 A 
BRANCH  19  26
ATOM     25  C   LIG    1        6.199  -2.214   3.126  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1        5.293  -1.117   3.137  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  16  22
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   2  27
ATOM     27  C   LIG    1        0.016   1.479  -3.839  0.00  0.00    +0.339 C 
ATOM     28  O   LIG    1        0.945   1.227  -4.587  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -0.931   2.372  -4.177  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -0.635   2.721  -5.045  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH   2  27
TORSDOF 7