REMARK  Name = BDB015537
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.521  -0.324  -0.026  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.281  -1.283  -0.485  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.591  -1.005  -0.442  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.125   0.124   0.046  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.269   1.052   0.522  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.094   0.855   0.526  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.866   2.302   1.062  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.070   2.240   1.660  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.692   3.355   2.199  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.988   3.180   2.835  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.117   4.624   2.163  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -3.627   5.629   2.652  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.793   4.719   1.468  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.179   6.079   1.373  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -1.233   3.609   0.959  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.882  -0.722  -0.087  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1        1.871  -1.664  -0.488  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.873   0.259  -1.044  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1        2.685   1.645  -0.671  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.684  -0.184  -2.408  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.519  -0.263  -0.492  0.00  0.00    +0.148 C 
ATOM     22  C   LIG    1        5.576   0.420  -1.360  0.00  0.00    +0.033 C 
BRANCH  21  24
ATOM     23  C   LIG    1        6.015  -0.529   1.563  0.00  0.00    +0.006 C 
ATOM     24  C   LIG    1        4.713   0.027   1.004  0.00  0.00    +0.024 C 
ENDBRANCH  21  24
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -2.518  -1.925  -0.921  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.004  -3.100  -1.425  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1       -1.638  -3.175  -2.781  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.737  -1.984  -3.691  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -1.123  -4.382  -3.271  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -1.012  -5.496  -2.438  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -1.416  -5.420  -1.105  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -1.931  -4.226  -0.586  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1       -2.354  -4.155   0.853  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7