REMARK  Name = BDB013108
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.657   0.004   1.005  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1       -0.090  -1.154   1.356  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.457  -1.083   1.237  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.918  -2.314   1.603  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.910  -3.083   1.950  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -2.136   0.065   0.808  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -1.444   1.126   0.489  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.246  -2.351   1.793  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -0.069   1.071   0.603  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.291   0.751   0.175  0.00  0.00    +0.139 A 
ATOM     11  C   LIG    1        2.901   0.674   0.065  0.00  0.00    +0.057 A 
ATOM     12  C   LIG    1        2.130   0.108   1.090  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        2.824  -0.385   2.193  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.169  -0.316   2.343  0.00  0.00    -0.259 NA
ATOM     15  C   LIG    1        4.869   0.255   1.335  0.00  0.00    +0.156 A 
BRANCH  10  16
ATOM     16  O   LIG    1        4.923   1.310  -0.898  0.00  0.00    -0.489 OA
BRANCH  16  17
ATOM     17  C   LIG    1        6.353   1.352  -0.903  0.00  0.00    +0.251 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.921   0.041  -1.413  0.00  0.00    +0.206 C 
BRANCH  18  20
ATOM     19  C   LIG    1        9.149  -1.507  -2.019  0.00  0.00    +0.194 C 
ATOM     20  S   LIG    1        8.694   0.103  -1.423  0.00  0.00    -0.031 S 
ATOM     21  O   LIG    1        9.102   1.076  -2.416  0.00  0.00    -0.175 OA
ATOM     22  O   LIG    1        9.137   0.208  -0.046  0.00  0.00    -0.175 OA
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  10  16
ENDBRANCH   1  12
BRANCH   6  23
ATOM     23  N   LIG    1       -3.511   0.041   0.732  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1       -4.018  -0.640   1.286  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1       -4.272   1.250   0.474  0.00  0.00    +0.140 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.731   0.896   0.369  0.00  0.00    -0.024 A 
ATOM     27  C   LIG    1       -6.270   0.337  -0.786  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -5.637   0.061  -2.099  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1       -6.734  -0.799  -2.727  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1       -7.991  -0.515  -2.072  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1       -7.615   0.006  -0.862  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -8.481   0.207   0.193  0.00  0.00    +0.046 A 
ATOM     33  C   LIG    1       -7.962   0.748   1.369  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1       -6.600   1.085   1.459  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 8