REMARK  Name = BDB015535
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.715  -0.503   0.145  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.875   0.820   0.001  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.805   1.526  -0.418  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.400   0.924  -0.711  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1        0.450  -0.429  -0.494  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -0.581  -1.175  -0.102  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.021   2.986  -0.583  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.049   3.858  -0.252  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.209   5.229  -0.383  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        0.902   6.091  -0.007  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.387   5.807  -0.856  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -1.554   7.016  -0.999  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -2.491   4.852  -1.193  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.777   5.447  -1.667  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -2.286   3.533  -1.050  0.00  0.00    +0.020 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  N   LIG    1        1.591  -1.231  -0.757  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        1.295  -2.190  -0.553  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.946  -0.869   0.199  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.238   0.544   0.075  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        2.715  -1.485   1.488  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        4.206  -1.796  -0.688  0.00  0.00    +0.192 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.495  -1.564   0.042  0.00  0.00    +0.012 C 
ATOM     23  C   LIG    1        5.938  -2.482   1.153  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1        6.647  -2.514  -0.172  0.00  0.00    +0.005 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   5  16
BRANCH   1  25
ATOM     25  O   LIG    1       -2.847  -1.181   0.585  0.00  0.00    -0.423 OA
BRANCH  25  28
ATOM     26  C   LIG    1       -1.855  -2.179   3.096  0.00  0.00    +0.047 C 
ATOM     27  C   LIG    1       -2.265  -3.070   1.958  0.00  0.00    -0.008 A 
ATOM     28  C   LIG    1       -2.721  -2.544   0.736  0.00  0.00    +0.138 A 
ATOM     29  C   LIG    1       -3.126  -3.385  -0.315  0.00  0.00    -0.008 A 
ATOM     30  C   LIG    1       -3.645  -2.824  -1.608  0.00  0.00    +0.047 C 
ATOM     31  C   LIG    1       -3.003  -4.771  -0.153  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.515  -5.304   1.040  0.00  0.00    +0.001 A 
ATOM     33  C   LIG    1       -2.150  -4.460   2.089  0.00  0.00    +0.007 A 
ENDBRANCH  25  28
ENDBRANCH   1  25
TORSDOF 7