REMARK  Name = BDB018503
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.615  -0.981  -1.442  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1        1.348  -1.562  -1.194  0.00  0.00    +0.077 A 
ATOM      3  C   LIG    1        1.096  -2.863  -1.687  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        2.059  -3.568  -2.416  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        3.291  -2.990  -2.676  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        3.563  -1.711  -2.196  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.288  -0.887  -0.515  0.00  0.00    -0.239 N 
ATOM      8  N   LIG    1        0.473   0.336   0.032  0.00  0.00    -0.174 NA
ATOM      9  C   LIG    1       -0.704   0.676   0.558  0.00  0.00    +0.143 A 
ATOM     10  C   LIG    1       -1.665  -0.327   0.387  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -1.002  -1.328  -0.286  0.00  0.00    +0.123 A 
BRANCH  10  12
ATOM     12  C   LIG    1       -3.027  -0.347   0.827  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.160  -0.445  -0.116  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1       -5.411  -0.538   0.376  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1       -5.695  -0.489   1.829  0.00  0.00    +0.251 A 
ATOM     16  O   LIG    1       -6.856  -0.585   2.216  0.00  0.00    -0.268 OA
ATOM     17  N   LIG    1       -4.588  -0.330   2.651  0.00  0.00    -0.318 N 
ATOM     18  C   LIG    1       -4.774  -0.269   4.092  0.00  0.00    +0.152 C 
ATOM     19  C   LIG    1       -3.300  -0.278   2.146  0.00  0.00    +0.097 A 
BRANCH  13  20
ATOM     20  C   LIG    1       -3.877  -0.463  -1.569  0.00  0.00    +0.020 C 
ATOM     21  C   LIG    1       -3.299   0.762  -2.236  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1       -4.716   0.368  -2.512  0.00  0.00    +0.009 C 
ENDBRANCH  13  20
ENDBRANCH  10  12
ENDBRANCH   2   7
BRANCH   1  25
ATOM     23  N   LIG    1        2.990   0.647   0.358  0.00  0.00    -0.171 N 
ATOM     24  H   LIG    1        2.085   0.355   0.737  0.00  0.00    +0.178 HD
ATOM     25  C   LIG    1        3.140   0.351  -1.004  0.00  0.00    +0.266 C 
ATOM     26  O   LIG    1        3.800   1.022  -1.785  0.00  0.00    -0.269 OA
BRANCH  23  27
ATOM     27  S   LIG    1        3.352   2.100   1.058  0.00  0.00    +0.114 S 
ATOM     28  O   LIG    1        2.587   2.137   2.287  0.00  0.00    -0.138 OA
ATOM     29  O   LIG    1        3.256   3.183   0.111  0.00  0.00    -0.138 OA
BRANCH  27  31
ATOM     30  C   LIG    1        5.922   1.756   0.352  0.00  0.00    +0.132 C 
ATOM     31  N   LIG    1        4.982   1.893   1.487  0.00  0.00    -0.170 NA
ATOM     32  C   LIG    1        5.452   2.915   2.450  0.00  0.00    +0.132 C 
ENDBRANCH  27  31
ENDBRANCH  23  27
ENDBRANCH   1  25
TORSDOF 6