REMARK  Name = BDB018859
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.195   0.239  -0.216  0.00  0.00    +0.080 A 
ATOM      2  N   LIG    1        0.121  -0.143   0.576  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1       -1.020   0.014  -0.064  0.00  0.00    +0.167 A 
ATOM      4  S   LIG    1       -0.863   0.697  -1.626  0.00  0.00    -0.060 S 
ATOM      5  C   LIG    1        0.839   0.735  -1.453  0.00  0.00    +0.076 A 
ENDROOT
BRANCH   1   8
ATOM      6  C   LIG    1        4.978  -0.054  -0.102  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1        3.667   0.049  -0.594  0.00  0.00    +0.033 A 
ATOM      8  C   LIG    1        2.566   0.134   0.275  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        2.799   0.103   1.655  0.00  0.00    +0.010 A 
ATOM     10  C   LIG    1        4.097   0.004   2.154  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        5.182  -0.072   1.278  0.00  0.00    +0.023 A 
BRANCH   6  14
ATOM     12  C   LIG    1        8.179  -0.316  -2.084  0.00  0.00    +0.109 C 
ATOM     13  C   LIG    1        7.375  -0.251  -0.809  0.00  0.00    +0.214 C 
ATOM     14  N   LIG    1        6.018  -0.135  -1.052  0.00  0.00    -0.286 N 
ATOM     15  H   LIG    1        5.735  -0.114  -2.024  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        7.927  -0.325   0.283  0.00  0.00    -0.276 OA
ENDBRANCH   6  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1       -2.258  -0.280   0.528  0.00  0.00    -0.252 N 
ATOM     18  C   LIG    1       -3.456  -0.193  -0.195  0.00  0.00    +0.242 C 
ATOM     19  O   LIG    1       -3.539  -0.206  -1.427  0.00  0.00    -0.273 OA
ATOM     20  C   LIG    1       -2.238  -0.658   1.944  0.00  0.00    +0.140 C 
BRANCH  18  21
ATOM     21  C   LIG    1       -4.758  -0.112   0.635  0.00  0.00    +0.170 C 
ATOM     22  N   LIG    1       -5.791   0.763  -0.006  0.00  0.00    -0.258 N 
ATOM     23  C   LIG    1       -6.825  -0.092  -0.644  0.00  0.00    +0.117 C 
ATOM     24  C   LIG    1       -6.317  -1.520  -0.509  0.00  0.00    +0.022 C 
ATOM     25  C   LIG    1       -5.439  -1.476   0.729  0.00  0.00    +0.034 C 
BRANCH  22  26
ATOM     26  C   LIG    1       -5.603   2.058  -0.288  0.00  0.00    +0.170 C 
ATOM     27  N   LIG    1       -5.438   3.183  -0.502  0.00  0.00    -0.174 NA
ENDBRANCH  22  26
ENDBRANCH  18  21
ENDBRANCH   3  17
TORSDOF 5