REMARK  Name = BDB003573
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.110   0.244  -0.343  0.00  0.00    +0.062 A 
ATOM      2  C   LIG    1       -1.151   0.496  -1.234  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1       -2.477   0.480  -0.764  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -2.771   0.233   0.588  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1       -1.710   0.002   1.471  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -0.392   0.017   1.014  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.202   0.219   1.100  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1       -4.986  -0.996   0.562  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1       -6.502  -0.779   0.537  0.00  0.00    +0.001 C 
ATOM     10  C   LIG    1       -6.961   0.175   1.630  0.00  0.00    +0.000 C 
ATOM     11  C   LIG    1       -6.321   1.558   1.488  0.00  0.00    +0.001 C 
ATOM     12  C   LIG    1       -4.946   1.531   0.814  0.00  0.00    +0.008 C 
ENDBRANCH   4   7
BRANCH   1  15
ATOM     13  C   LIG    1        1.479  -2.215  -0.352  0.00  0.00    +0.132 C 
ATOM     14  N   LIG    1        2.037  -0.911  -0.700  0.00  0.00    -0.300 N 
ATOM     15  C   LIG    1        1.307   0.277  -0.729  0.00  0.00    +0.248 C 
ATOM     16  O   LIG    1        1.766   1.361  -1.069  0.00  0.00    -0.270 OA
BRANCH  14  17
ATOM     17  C   LIG    1        3.486  -0.846  -0.922  0.00  0.00    +0.111 C 
BRANCH  17  18
ATOM     18  C   LIG    1        4.316  -1.039   0.367  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1        5.812  -1.194   0.038  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        6.472   0.117  -0.385  0.00  0.00    +0.000 C 
ATOM     21  C   LIG    1        6.253   1.216   0.651  0.00  0.00    +0.000 C 
ATOM     22  C   LIG    1        4.774   1.404   0.976  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        4.117   0.089   1.393  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH   1  15
BRANCH   2  24
ATOM     24  S   LIG    1       -0.924   0.818  -2.967  0.00  0.00    -0.005 S 
ATOM     25  O   LIG    1       -2.099   0.258  -3.619  0.00  0.00    -0.170 OA
ATOM     26  O   LIG    1       -0.626   2.228  -3.107  0.00  0.00    -0.170 OA
ATOM     27  C   LIG    1        0.432  -0.130  -3.586  0.00  0.00    +0.200 C 
ENDBRANCH   2  24
TORSDOF 5