REMARK  Name = BDB003016
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.495   0.748   0.039  0.00  0.00    -0.314 N 
ATOM      2  H   LIG    1        1.994   1.558   0.385  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        2.196  -0.280  -0.562  0.00  0.00    +0.223 C 
ATOM      4  O   LIG    1        1.667  -1.328  -0.923  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        0.074   0.638   0.315  0.00  0.00    +0.109 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.779   0.871  -0.934  0.00  0.00    +0.054 C 
BRANCH   6  10
ATOM      7  C   LIG    1       -4.991   0.525  -0.021  0.00  0.00    +0.161 A 
ATOM      8  C   LIG    1       -4.231  -0.629  -0.295  0.00  0.00    +0.162 A 
ATOM      9  C   LIG    1       -2.869  -0.504  -0.596  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1       -2.253   0.757  -0.631  0.00  0.00    -0.042 A 
ATOM     11  C   LIG    1       -3.015   1.895  -0.353  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1       -4.374   1.780  -0.053  0.00  0.00    +0.049 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -7.125   1.463   0.509  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -6.318   0.319   0.267  0.00  0.00    -0.491 OA
ENDBRANCH   7  14
BRANCH   8  15
ATOM     15  O   LIG    1       -4.906  -1.824  -0.241  0.00  0.00    -0.491 OA
ATOM     16  C   LIG    1       -4.179  -3.005  -0.549  0.00  0.00    +0.277 C 
ENDBRANCH   8  15
ENDBRANCH   6  10
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   3  17
ATOM     17  C   LIG    1        3.679  -0.013  -0.728  0.00  0.00    +0.173 C 
BRANCH  17  18
ATOM     18  S   LIG    1        4.563  -0.663   0.720  0.00  0.00    -0.075 S 
BRANCH  18  19
ATOM     19  C   LIG    1        6.177  -0.203   0.312  0.00  0.00    +0.206 A 
ATOM     20  N   LIG    1        7.282  -0.680   0.969  0.00  0.00    -0.242 N 
ATOM     21  C   LIG    1        8.347  -0.080   0.367  0.00  0.00    +0.241 A 
ATOM     22  N   LIG    1        7.927   0.713  -0.596  0.00  0.00    -0.136 NA
ATOM     23  N   LIG    1        6.549   0.634  -0.631  0.00  0.00    -0.121 NA
BRANCH  20  24
ATOM     24  N   LIG    1        7.347  -1.612   2.051  0.00  0.00    -0.239 N 
ATOM     25  H   LIG    1        7.009  -2.526   1.748  0.00  0.00    +0.143 HD
ATOM     26  H   LIG    1        6.710  -1.332   2.796  0.00  0.00    +0.143 HD
ENDBRANCH  20  24
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 9