REMARK  Name = BDB034899
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.214  -0.853   0.330  0.00  0.00    -0.152 NA
ATOM      2  C   LIG    1       -0.728  -0.035   0.681  0.00  0.00    +0.171 A 
ATOM      3  N   LIG    1       -2.087  -0.114   0.359  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.853   0.922   0.878  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1       -2.187   1.854   1.575  0.00  0.00    +0.035 A 
ATOM      6  S   LIG    1       -0.478   1.471   1.643  0.00  0.00    -0.054 S 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.650  -1.221  -0.337  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -3.488  -1.081  -1.462  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1       -3.825   0.457  -2.184  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -4.038  -2.205  -2.094  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -3.757  -3.486  -1.623  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.919  -3.648  -0.525  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.371  -2.530   0.108  0.00  0.00    +0.028 A 
ENDBRANCH   3   7
BRANCH   1  15
ATOM     14  O   LIG    1        1.824  -0.812   1.943  0.00  0.00    -0.268 OA
ATOM     15  C   LIG    1        1.484  -0.615   0.784  0.00  0.00    +0.270 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.463  -0.144  -0.234  0.00  0.00    +0.051 A 
ATOM     17  C   LIG    1        3.747   0.300   0.141  0.00  0.00    +0.031 A 
ATOM     18  C   LIG    1        4.584   0.729  -0.885  0.00  0.00    +0.139 A 
ATOM     19  N   LIG    1        5.773   1.122  -0.334  0.00  0.00    -0.346 N 
ATOM     20  H   LIG    1        6.549   1.474  -0.874  0.00  0.00    +0.167 HD
ATOM     21  C   LIG    1        5.730   0.963   1.026  0.00  0.00    +0.085 A 
ATOM     22  N   LIG    1        4.316   0.770  -2.202  0.00  0.00    -0.237 NA
ATOM     23  C   LIG    1        3.077   0.331  -2.508  0.00  0.00    +0.114 A 
ATOM     24  C   LIG    1        4.488   0.456   1.349  0.00  0.00    +0.030 A 
ATOM     25  C   LIG    1        2.135  -0.123  -1.598  0.00  0.00    +0.033 A 
ENDBRANCH  15  16
ENDBRANCH   1  15
BRANCH   5  26
ATOM     26  C   LIG    1       -2.752   3.053   2.254  0.00  0.00    +0.199 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -2.191   4.238   1.706  0.00  0.00    -0.390 OA
ATOM     28  H   LIG    1       -1.224   4.120   1.711  0.00  0.00    +0.210 HD
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 5