REMARK  Name = BDB019071
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.541  -0.063   0.542  0.00  0.00    +0.026 A 
ATOM      2  C   LIG    1        1.175  -0.210  -0.820  0.00  0.00    +0.078 A 
ATOM      3  N   LIG    1       -0.172  -0.236  -1.106  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.279  -0.375  -2.467  0.00  0.00    +0.206 A 
ATOM      5  N   LIG    1        0.899  -0.425  -3.055  0.00  0.00    -0.243 NA
ATOM      6  C   LIG    1       -1.176  -0.132  -0.118  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.824  -0.038   1.139  0.00  0.00    -0.223 NA
ATOM      8  C   LIG    1        1.812  -0.334  -2.033  0.00  0.00    +0.139 A 
ATOM      9  C   LIG    1        0.527   0.007   1.435  0.00  0.00    +0.125 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        3.130   2.441   0.081  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.686   1.250   0.821  0.00  0.00    -0.041 A 
ATOM     12  C   LIG    1        2.929   0.073   1.034  0.00  0.00    -0.011 A 
ATOM     13  C   LIG    1        3.502  -1.003   1.739  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        4.814  -0.933   2.213  0.00  0.00    +0.027 A 
ATOM     15  C   LIG    1        5.566   0.218   1.969  0.00  0.00    +0.088 A 
ATOM     16  C   LIG    1        5.012   1.307   1.288  0.00  0.00    +0.031 A 
BRANCH  15  17
ATOM     17  S   LIG    1        7.236   0.326   2.567  0.00  0.00    -0.006 S 
ATOM     18  O   LIG    1        7.418  -0.710   3.568  0.00  0.00    -0.170 OA
ATOM     19  O   LIG    1        7.493   1.721   2.884  0.00  0.00    -0.170 OA
ATOM     20  C   LIG    1        8.203  -0.113   1.148  0.00  0.00    +0.200 C 
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.499  -0.128  -0.513  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -2.704   0.115  -1.475  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.558   0.234   0.416  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.857   0.352  -0.331  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -5.494  -0.743  -0.905  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -5.099  -2.172  -0.917  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.344  -2.787  -1.565  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.131  -1.749  -2.192  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.649  -0.584  -1.658  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.227   0.652  -1.869  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.617   1.763  -1.286  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -5.451   1.606  -0.529  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.882   2.696   0.001  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5