REMARK  Name = BDB015533
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.884  -0.550   0.027  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.898   0.726   0.417  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.700   1.321   0.455  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.463   0.736   0.129  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.422  -0.548  -0.274  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.765  -1.237  -0.372  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.734  -1.141  -0.643  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.982  -2.447  -0.427  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.198  -3.033  -0.744  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.367  -4.459  -0.511  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.245  -2.322  -1.331  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.313  -2.824  -1.675  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.007  -0.857  -1.528  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.136  -0.056  -2.090  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.817  -0.335  -1.191  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        3.199  -1.081  -0.037  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.812  -0.320   0.265  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.487  -2.425   0.944  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.806  -1.930   2.263  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.425  -3.392   0.751  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.961  -3.112   0.200  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.771  -1.637   1.240  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        6.107  -2.135  -0.035  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  O   LIG    1        0.722   2.650   0.864  0.00  0.00    -0.423 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -0.472   3.332   0.769  0.00  0.00    +0.138 A 
ATOM     26  C   LIG    1       -1.320   3.392   1.890  0.00  0.00    -0.008 A 
ATOM     27  C   LIG    1       -0.973   2.688   3.171  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -2.530   4.088   1.780  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -2.870   4.735   0.592  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -2.003   4.700  -0.501  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -0.785   4.013  -0.421  0.00  0.00    -0.008 A 
ATOM     32  C   LIG    1        0.128   3.975  -1.612  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7