REMARK  Name = BDB032898
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.684   2.052   0.026  0.00  0.00    -0.261 N 
ATOM      2  H   LIG    1        1.871   3.025   0.231  0.00  0.00    +0.157 HD
ATOM      3  C   LIG    1        0.371   1.766  -0.248  0.00  0.00    +0.251 C 
ATOM      4  O   LIG    1       -0.503   2.600  -0.006  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.032   0.517  -0.932  0.00  0.00    +0.058 A 
ATOM      6  C   LIG    1       -1.101  -0.253  -0.424  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -1.412  -1.447  -1.092  0.00  0.00    +0.024 A 
ATOM      8  C   LIG    1       -0.745  -1.817  -2.266  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1        0.259  -1.008  -2.790  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.617   0.163  -2.127  0.00  0.00    +0.015 A 
BRANCH   6  11
ATOM     11  N   LIG    1       -1.743   0.115   0.790  0.00  0.00    -0.340 N 
ATOM     12  H   LIG    1       -1.722   1.137   0.894  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1       -2.972  -0.541   1.236  0.00  0.00    +0.071 C 
ATOM     14  C   LIG    1       -4.304  -0.195   0.633  0.00  0.00    +0.024 C 
ATOM     15  C   LIG    1       -3.988   0.222   2.040  0.00  0.00    +0.024 C 
ENDBRANCH  11  13
ENDBRANCH   6  11
ENDBRANCH   3   5
BRANCH   1  18
ATOM     16  C   LIG    1        4.239  -0.553   0.911  0.00  0.00    +0.166 A 
ATOM     17  S   LIG    1        2.575  -0.449   0.583  0.00  0.00    -0.030 S 
ATOM     18  C   LIG    1        2.743   1.228   0.312  0.00  0.00    +0.167 A 
ATOM     19  N   LIG    1        3.946   1.720   0.497  0.00  0.00    -0.231 NA
ATOM     20  C   LIG    1        4.816   0.693   0.826  0.00  0.00    +0.152 A 
BRANCH  16  22
ATOM     21  O   LIG    1        6.132  -1.716   1.434  0.00  0.00    -0.143 OA
ATOM     22  N   LIG    1        4.915  -1.815   1.241  0.00  0.00    -0.022 NA
ENDBRANCH  16  22
ENDBRANCH   1  18
TORSDOF 5