REMARK  Name = BDB015477
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.033  -0.691  -1.247  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -0.057   0.130  -0.829  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.931  -0.415  -0.089  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.949  -1.756   0.220  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.116  -2.487  -0.246  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -1.107  -2.001  -0.995  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.003   0.505   0.373  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        2.317   1.568  -0.391  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        3.305   2.473  -0.037  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        3.571   3.587  -0.934  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        4.040   2.359   1.141  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        4.925   3.140   1.482  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1        3.687   1.196   2.017  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.441   1.068   3.302  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1        2.724   0.344   1.628  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1       -0.268  -3.866  -0.010  0.00  0.00    -0.203 N 
ATOM     17  H   LIG    1       -0.942  -4.297  -0.642  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1       -0.384  -4.423   1.561  0.00  0.00    +0.047 S 
ATOM     19  O   LIG    1       -0.419  -5.868   1.451  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        0.636  -3.785   2.367  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1       -2.015  -3.902   2.149  0.00  0.00    +0.145 C 
ATOM     22  C   LIG    1       -2.058  -2.436   2.559  0.00  0.00    +0.033 C 
ATOM     23  C   LIG    1       -3.123  -4.247   1.161  0.00  0.00    +0.033 C 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  24
ATOM     24  O   LIG    1       -2.085  -0.180  -2.002  0.00  0.00    -0.422 OA
BRANCH  24  27
ATOM     25  C   LIG    1       -1.183   1.066  -4.390  0.00  0.00    +0.047 C 
ATOM     26  C   LIG    1       -1.760   1.841  -3.240  0.00  0.00    -0.007 A 
ATOM     27  C   LIG    1       -2.174   1.194  -2.062  0.00  0.00    +0.152 A 
ATOM     28  C   LIG    1       -2.731   1.924  -0.999  0.00  0.00    +0.094 A 
ATOM     29  C   LIG    1       -2.833   3.316  -1.099  0.00  0.00    +0.022 A 
ATOM     30  C   LIG    1       -2.399   3.969  -2.253  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -1.868   3.236  -3.317  0.00  0.00    +0.007 A 
BRANCH  28  32
ATOM     32  C   LIG    1       -3.203   1.270   0.187  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -3.581   0.737   1.146  0.00  0.00    -0.191 NA
ENDBRANCH  28  32
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 7