REMARK  Name = BDB018841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.658  -1.843   0.654  0.00  0.00    +0.140 C 
ATOM      2  N   LIG    1       -0.783  -0.476   0.142  0.00  0.00    -0.252 N 
ATOM      3  C   LIG    1       -2.002   0.215   0.175  0.00  0.00    +0.242 C 
ATOM      4  O   LIG    1       -2.265   1.220  -0.492  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        0.388   0.122  -0.350  0.00  0.00    +0.167 A 
ATOM      6  S   LIG    1        0.492   1.771  -0.794  0.00  0.00    -0.060 S 
ATOM      7  C   LIG    1        2.146   1.580  -1.173  0.00  0.00    +0.072 A 
ATOM      8  C   LIG    1        2.542   0.280  -0.927  0.00  0.00    +0.056 A 
ATOM      9  N   LIG    1        1.528  -0.535  -0.443  0.00  0.00    -0.229 NA
BRANCH   8  10
ATOM     10  C   LIG    1        3.907  -0.329  -1.097  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        4.727   0.271  -2.230  0.00  0.00    +0.169 C 
ATOM     12  O   LIG    1        5.496   1.353  -1.676  0.00  0.00    -0.379 OA
ATOM     13  C   LIG    1        5.464   1.249  -0.246  0.00  0.00    +0.160 C 
ATOM     14  C   LIG    1        4.808  -0.073   0.095  0.00  0.00    +0.040 C 
ENDBRANCH   8  10
ENDBRANCH   2   5
BRANCH   3  15
ATOM     15  C   LIG    1       -3.099  -0.366   1.097  0.00  0.00    +0.170 C 
ATOM     16  N   LIG    1       -3.942   0.699   1.729  0.00  0.00    -0.258 N 
ATOM     17  C   LIG    1       -5.246   0.773   1.020  0.00  0.00    +0.117 C 
ATOM     18  C   LIG    1       -5.127  -0.182  -0.159  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1       -4.101  -1.203   0.303  0.00  0.00    +0.034 C 
BRANCH  16  20
ATOM     20  C   LIG    1       -3.459   1.661   2.523  0.00  0.00    +0.170 C 
ATOM     21  N   LIG    1       -3.032   2.470   3.233  0.00  0.00    -0.174 NA
ENDBRANCH  16  20
ENDBRANCH   3  15
TORSDOF 4