REMARK  Name = BDB015467
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.674   0.605   0.268  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.483  -0.480  -0.484  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1        0.207  -0.760  -0.764  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.851  -0.033  -0.372  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.605   1.048   0.395  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.674   1.408   0.759  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.810   1.784   0.854  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.804   3.129   0.928  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -2.914   3.852   1.336  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.814   5.303   1.388  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.121   3.245   1.683  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -5.122   3.858   2.047  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -4.152   1.751   1.584  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -5.438   1.075   1.934  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -3.049   1.097   1.188  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        3.026   0.834   0.612  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.298   1.803   0.763  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        3.607  -0.114   1.869  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        4.804   0.561   2.326  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.525  -0.360   2.799  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.079  -1.653   1.079  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.878  -1.517  -0.213  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        7.104  -1.060  -1.301  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.302  -0.998  -0.009  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1        0.015  -1.891  -1.550  0.00  0.00    -0.422 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.276  -2.369  -1.599  0.00  0.00    +0.153 A 
ATOM     27  C   LIG    1       -1.785  -3.164  -0.562  0.00  0.00    +0.084 A 
ATOM     28 CL   LIG    1       -0.832  -3.577   0.818  0.00  0.00    -0.080 Cl
ATOM     29  C   LIG    1       -3.089  -3.654  -0.636  0.00  0.00    +0.024 A 
ATOM     30  C   LIG    1       -3.880  -3.362  -1.748  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -3.366  -2.591  -2.792  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.054  -2.099  -2.739  0.00  0.00    -0.007 A 
ATOM     33  C   LIG    1       -1.519  -1.260  -3.864  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8