REMARK  Name = BDB016118
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.805   2.201   0.071  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.221   1.334  -0.032  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.479   1.815  -0.068  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -1.732   3.184   0.039  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.608   3.987   0.139  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.662   3.533   0.148  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.640  -0.339   0.224  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.363   0.240   0.196  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.167   1.633   0.110  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.317   2.438   0.060  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.599   1.877   0.085  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.760   0.493   0.164  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.117  -5.023  -0.487  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        4.418  -3.847  -0.026  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        3.368  -3.984   0.807  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        2.988  -2.723   1.031  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        3.764  -1.781   0.318  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.690  -2.550  -0.354  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.062   3.763   0.065  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.431   4.932  -0.569  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.757   5.112  -0.295  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.599   6.195  -0.743  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.281   4.144   0.475  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.249   3.325   0.698  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.546   0.894  -0.174  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -3.187   1.229  -0.893  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -2.173  -0.502  -0.429  0.00  0.00    +0.104 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.807  -1.218   0.874  0.00  0.00    +0.033 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -0.938  -2.451   0.656  0.00  0.00    +0.115 C 
BRANCH  29  30
ATOM     30  S   LIG    1       -1.780  -3.796  -0.155  0.00  0.00    +0.043 S 
ATOM     31  O   LIG    1       -2.887  -4.191   0.691  0.00  0.00    -0.248 OA
ATOM     32  N   LIG    1       -1.936  -3.426  -1.645  0.00  0.00    -0.252 NA
ATOM     33  H   LIG    1       -2.415  -4.170  -2.158  0.00  0.00    +0.197 HD
ATOM     34  C   LIG    1       -0.566  -5.096  -0.067  0.00  0.00    +0.132 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 8