REMARK  Name = BDB015638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.575  -0.630  -0.099  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1        0.323   0.647   0.126  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1       -0.952   0.985  -0.062  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1       -1.922   0.130  -0.383  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1       -1.536  -1.134  -0.519  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1       -0.295  -1.582  -0.361  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.342   2.412   0.117  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -0.393   3.357   0.249  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -0.695   4.700   0.419  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        0.406   5.643   0.548  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.004   5.176   0.464  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.305   6.357   0.617  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -3.076   4.142   0.309  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.490   4.627   0.342  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.731   2.855   0.147  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.848  -1.118   0.202  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        1.911  -2.115   0.008  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.129  -0.288  -0.456  0.00  0.00    +0.045 S 
ATOM     19  O   LIG    1        4.234  -1.226  -0.463  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.716   0.344  -1.691  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.496   0.981   0.755  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.449   0.539   2.214  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.923  -0.059   2.426  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        4.485  -0.503   2.641  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  25
ATOM     25  O   LIG    1       -2.563  -2.018  -0.838  0.00  0.00    -0.423 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.198  -3.331  -1.035  0.00  0.00    +0.138 A 
ATOM     27  C   LIG    1       -1.824  -3.761  -2.321  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -1.768  -2.812  -3.482  0.00  0.00    +0.047 C 
ATOM     29  C   LIG    1       -1.457  -5.101  -2.499  0.00  0.00    +0.007 A 
ATOM     30  C   LIG    1       -1.496  -5.996  -1.430  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1       -1.907  -5.566  -0.168  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.280  -4.232   0.042  0.00  0.00    -0.008 A 
ATOM     33  C   LIG    1       -2.712  -3.783   1.408  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 8