REMARK  Name = BDB034875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.104  -0.293  -1.404  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.699   0.747  -0.903  0.00  0.00    +0.150 C 
ATOM      3  N   LIG    1       -2.078   0.773  -0.714  0.00  0.00    -0.307 N 
ATOM      4  C   LIG    1       -2.896   1.512  -1.701  0.00  0.00    +0.107 C 
ATOM      5  C   LIG    1       -2.272   2.804  -2.222  0.00  0.00    +0.020 C 
ATOM      6  C   LIG    1       -1.945   3.832  -1.138  0.00  0.00    +0.013 C 
ATOM      7  C   LIG    1       -1.164   3.315   0.068  0.00  0.00    +0.077 C 
ATOM      8  S   LIG    1        0.184   2.195  -0.374  0.00  0.00    -0.093 S 
ENDROOT
BRANCH   1  10
ATOM      9  O   LIG    1        1.697   0.248  -2.701  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1        1.239  -0.225  -1.667  0.00  0.00    +0.271 C 
BRANCH  10  11
ATOM     11  C   LIG    1        2.078  -0.852  -0.644  0.00  0.00    +0.065 A 
ATOM     12  C   LIG    1        3.497  -1.062  -0.705  0.00  0.00    +0.031 A 
ATOM     13  C   LIG    1        3.877  -1.679   0.482  0.00  0.00    +0.139 A 
ATOM     14  N   LIG    1        5.112  -2.063   0.854  0.00  0.00    -0.237 NA
ATOM     15  C   LIG    1        6.050  -1.786  -0.080  0.00  0.00    +0.113 A 
ATOM     16  C   LIG    1        5.819  -1.175  -1.305  0.00  0.00    +0.020 A 
ATOM     17  N   LIG    1        2.760  -1.841   1.250  0.00  0.00    -0.345 N 
ATOM     18  H   LIG    1        2.768  -2.258   2.168  0.00  0.00    +0.167 HD
ATOM     19  C   LIG    1        4.517  -0.800  -1.638  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        1.668  -1.347   0.588  0.00  0.00    +0.098 A 
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   3  21
ATOM     21  C   LIG    1       -2.730  -0.508  -0.361  0.00  0.00    +0.142 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -2.335  -1.013   1.010  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -2.018  -2.368   1.194  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -1.693  -2.858   2.460  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -1.687  -2.001   3.559  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -2.013  -0.657   3.394  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.343  -0.167   2.129  0.00  0.00    +0.005 A 
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 4