REMARK  Name = BDB014836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.309  -0.014   0.291  0.00  0.00    +0.032 A 
ATOM      2  C   LIG    1        1.175   1.084   0.414  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        2.562   0.913   0.522  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        3.137  -0.365   0.513  0.00  0.00    -0.016 A 
ATOM      5  C   LIG    1        2.272  -1.461   0.391  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        0.884  -1.286   0.283  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        4.590  -0.550   0.630  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        5.494   0.159  -0.173  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        6.865  -0.053  -0.022  0.00  0.00    +0.106 A 
ATOM     10  C   LIG    1        7.313  -0.982   0.898  0.00  0.00    +0.137 A 
ATOM     11  N   LIG    1        6.478  -1.674   1.703  0.00  0.00    -0.261 NA
ATOM     12  C   LIG    1        5.148  -1.444   1.549  0.00  0.00    +0.119 A 
BRANCH   9  13
ATOM     13  S   LIG    1        8.034   0.811  -1.011  0.00  0.00    -0.004 S 
ATOM     14  O   LIG    1        7.335   1.316  -2.178  0.00  0.00    -0.170 OA
ATOM     15  O   LIG    1        9.200  -0.039  -1.153  0.00  0.00    -0.170 OA
ATOM     16  C   LIG    1        8.482   2.199  -0.001  0.00  0.00    +0.200 C 
ENDBRANCH   9  13
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  N   LIG    1       -1.080   0.226   0.194  0.00  0.00    -0.298 N 
ATOM     18  H   LIG    1       -1.279   1.218   0.193  0.00  0.00    +0.154 HD
BRANCH  17  24
ATOM     19  C   LIG    1       -7.519   2.544  -0.728  0.00  0.00    +0.109 C 
ATOM     20  C   LIG    1       -6.027   2.480  -0.525  0.00  0.00    +0.213 C 
ATOM     21  N   LIG    1       -5.472   1.238  -0.242  0.00  0.00    -0.297 N 
ATOM     22  C   LIG    1       -4.024   1.237   0.041  0.00  0.00    +0.148 C 
ATOM     23  C   LIG    1       -3.471  -0.141  -0.016  0.00  0.00    +0.032 A 
ATOM     24  C   LIG    1       -2.134  -0.617   0.060  0.00  0.00    +0.150 A 
ATOM     25  N   LIG    1       -2.112  -1.953  -0.012  0.00  0.00    -0.156 NA
ATOM     26  N   LIG    1       -3.395  -2.325  -0.160  0.00  0.00    -0.269 N 
ATOM     27  C   LIG    1       -3.706  -3.726  -0.299  0.00  0.00    +0.172 C 
ATOM     28  C   LIG    1       -4.250  -1.271  -0.143  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -5.726  -1.273  -0.263  0.00  0.00    +0.074 C 
ATOM     30  C   LIG    1       -6.263   0.084   0.242  0.00  0.00    +0.114 C 
ATOM     31  O   LIG    1       -5.346   3.502  -0.620  0.00  0.00    -0.276 OA
ENDBRANCH  17  24
ENDBRANCH   1  17
TORSDOF 4