REMARK  Name = BDB015404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.486   1.431  -0.386  0.00  0.00    -0.172 N 
ATOM      2  C   LIG    1        0.874   1.815  -0.348  0.00  0.00    +0.201 C 
ATOM      3  N   LIG    1        1.210   2.718  -1.216  0.00  0.00    -0.253 NA
ATOM      4  C   LIG    1       -0.031   3.115  -1.916  0.00  0.00    +0.166 C 
ATOM      5  C   LIG    1       -1.083   2.066  -1.581  0.00  0.00    +0.158 C 
ENDROOT
BRANCH   2   6
ATOM      6  N   LIG    1        1.727   1.197   0.520  0.00  0.00    -0.300 N 
ATOM      7  C   LIG    1        1.628  -0.236   0.837  0.00  0.00    +0.123 C 
ATOM      8  C   LIG    1        2.946  -0.964   0.495  0.00  0.00    +0.103 C 
ATOM      9  N   LIG    1        4.120  -0.492   1.275  0.00  0.00    -0.296 NA
ATOM     10  C   LIG    1        3.934   0.933   1.659  0.00  0.00    +0.103 C 
ATOM     11  C   LIG    1        3.077   1.765   0.683  0.00  0.00    +0.123 C 
BRANCH   9  12
ATOM     12  C   LIG    1        5.354  -0.643   0.471  0.00  0.00    +0.057 C 
ATOM     13  C   LIG    1        5.681  -2.144   0.238  0.00  0.00    +0.019 C 
ATOM     14  C   LIG    1        6.467  -2.145   1.561  0.00  0.00    +0.003 C 
ATOM     15  C   LIG    1        6.590  -0.616   1.415  0.00  0.00    +0.019 C 
ENDBRANCH   9  12
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  S   LIG    1       -1.462   1.480   1.004  0.00  0.00    +0.077 S 
ATOM     17  O   LIG    1       -0.869   0.733   2.091  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -1.922   2.842   1.186  0.00  0.00    -0.150 OA
BRANCH  16  24
ATOM     19  C   LIG    1       -6.407  -2.980  -1.051  0.00  0.00    +0.138 C 
ATOM     20  N   LIG    1       -6.222  -1.594  -0.713  0.00  0.00    -0.274 N 
ATOM     21  C   LIG    1       -5.002  -1.036  -0.323  0.00  0.00    +0.040 A 
ATOM     22  C   LIG    1       -5.181   0.325  -0.063  0.00  0.00    -0.015 A 
ATOM     23  C   LIG    1       -4.127   1.123   0.345  0.00  0.00    +0.034 A 
ATOM     24  C   LIG    1       -2.873   0.513   0.479  0.00  0.00    +0.109 A 
ATOM     25  C   LIG    1       -2.692  -0.862   0.227  0.00  0.00    +0.030 A 
ATOM     26  C   LIG    1       -6.616   0.695  -0.290  0.00  0.00    +0.133 C 
ATOM     27  C   LIG    1       -3.771  -1.651  -0.183  0.00  0.00    +0.026 A 
ATOM     28  C   LIG    1       -7.239  -0.636  -0.722  0.00  0.00    +0.224 C 
ATOM     29  O   LIG    1       -8.412  -0.806  -1.019  0.00  0.00    -0.275 OA
ENDBRANCH  16  24
ENDBRANCH   1  16
TORSDOF 4