REMARK  Name = BDB003004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.953  -2.228  -0.354  0.00  0.00    -0.024 A 
ATOM      2  C   LIG    1        0.632  -0.818  -0.476  0.00  0.00    +0.069 A 
ATOM      3  C   LIG    1        1.582  -0.021   0.141  0.00  0.00    +0.087 A 
ATOM      4  S   LIG    1        2.769  -0.939   0.926  0.00  0.00    -0.078 S 
ATOM      5  C   LIG    1        2.096  -2.417   0.407  0.00  0.00    -0.008 A 
ATOM      6  C   LIG    1        2.756  -3.701   0.791  0.00  0.00    +0.052 C 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -0.517  -0.284  -1.208  0.00  0.00    +0.249 C 
ATOM      8  N   LIG    1       -1.436   0.484  -0.486  0.00  0.00    -0.297 N 
ATOM      9  C   LIG    1       -1.538   0.474   0.980  0.00  0.00    +0.108 C 
ATOM     10  C   LIG    1       -2.989   0.550   1.445  0.00  0.00    +0.019 C 
ATOM     11  C   LIG    1       -3.701   1.791   0.907  0.00  0.00    +0.003 C 
ATOM     12  C   LIG    1       -3.155   2.256  -0.443  0.00  0.00    +0.019 C 
ATOM     13  C   LIG    1       -2.525   1.113  -1.228  0.00  0.00    +0.108 C 
ATOM     14  O   LIG    1       -0.647  -0.497  -2.411  0.00  0.00    -0.270 OA
ENDBRANCH   2   7
BRANCH   3  15
ATOM     15  N   LIG    1        1.621   1.362   0.149  0.00  0.00    -0.245 N 
ATOM     16  H   LIG    1        0.907   1.854  -0.371  0.00  0.00    +0.159 HD
ATOM     17  C   LIG    1        2.521   2.180   0.770  0.00  0.00    +0.405 C 
ATOM     18  O   LIG    1        3.475   1.889   1.472  0.00  0.00    -0.226 OA
BRANCH  17  19
ATOM     19  O   LIG    1        2.166   3.466   0.485  0.00  0.00    -0.453 OA
ATOM     20  C   LIG    1        3.024   4.451   1.063  0.00  0.00    +0.282 C 
ENDBRANCH  17  19
ENDBRANCH   3  15
BRANCH   1  22
ATOM     21  C   LIG    1        0.638  -3.743  -2.341  0.00  0.00    +0.009 C 
ATOM     22  C   LIG    1        0.135  -3.338  -0.964  0.00  0.00    +0.033 C 
ENDBRANCH   1  22
TORSDOF 4