REMARK  Name = BDB015605
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.046   0.029   0.276  0.00  0.00    +0.241 A 
ATOM      2  N   LIG    1        1.497   1.021  -0.405  0.00  0.00    -0.193 NA
ATOM      3  C   LIG    1        0.172   0.934  -0.503  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1       -0.553  -0.068  -0.015  0.00  0.00    -0.175 NA
ATOM      5  C   LIG    1        0.136  -1.025   0.602  0.00  0.00    +0.328 A 
ATOM      6  N   LIG    1        1.453  -1.048   0.751  0.00  0.00    -0.160 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.569   2.011  -1.215  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        0.097   3.062  -1.732  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1       -0.543   4.092  -2.405  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        0.267   5.182  -2.927  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.923   4.118  -2.603  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.519   5.011  -3.201  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.684   2.962  -2.030  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -4.167   2.969  -2.218  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.018   1.991  -1.385  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        3.442   0.061   0.284  0.00  0.00    -0.188 N 
ATOM     17  H   LIG    1        3.797   0.909  -0.150  0.00  0.00    +0.176 HD
BRANCH  16  18
ATOM     18  S   LIG    1        4.155  -0.187   1.769  0.00  0.00    +0.045 S 
ATOM     19  O   LIG    1        5.500   0.336   1.636  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.287   0.328   2.806  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.268  -1.970   1.921  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.162  -2.448   0.276  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        4.716  -2.712   0.667  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  24
ATOM     24  O   LIG    1       -0.526  -2.130   1.128  0.00  0.00    -0.423 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -1.903  -2.076   1.107  0.00  0.00    +0.138 A 
ATOM     26  C   LIG    1       -2.595  -2.672   0.038  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -1.865  -3.326  -1.100  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -3.993  -2.606   0.023  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -4.684  -1.990   1.067  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.988  -1.438   2.142  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -2.589  -1.489   2.186  0.00  0.00    -0.008 A 
ATOM     32  C   LIG    1       -1.856  -0.880   3.347  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 7