REMARK  Name = BDB019409
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.491   1.363  -0.936  0.00  0.00    +0.234 C 
ATOM      2  N   LIG    1       -0.780   1.201  -1.451  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.900   0.754  -2.349  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.707   1.790   0.197  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        3.156   2.761  -1.709  0.00  0.00    +0.233 C 
ATOM      6  N   LIG    1        2.901   1.424  -1.518  0.00  0.00    -0.286 N 
ATOM      7  C   LIG    1        1.604   0.860  -1.878  0.00  0.00    +0.164 C 
ATOM      8  C   LIG    1        1.753  -0.658  -1.694  0.00  0.00    +0.065 C 
ATOM      9  C   LIG    1        3.258  -0.886  -1.720  0.00  0.00    +0.134 C 
ATOM     10  C   LIG    1        3.823   0.386  -1.087  0.00  0.00    +0.140 C 
ATOM     11  O   LIG    1        2.313   3.510  -2.213  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  O   LIG    1        3.671  -1.012  -3.082  0.00  0.00    -0.390 OA
ATOM     13  H   LIG    1        4.640  -1.103  -3.087  0.00  0.00    +0.210 HD
ENDBRANCH   9  12
BRANCH   5  14
ATOM     14  C   LIG    1        4.461   3.337  -1.159  0.00  0.00    +0.200 C 
BRANCH  14  17
ATOM     15  C   LIG    1        4.341   3.269   2.622  0.00  0.00    +0.109 C 
ATOM     16  C   LIG    1        4.789   2.874   1.241  0.00  0.00    +0.210 C 
ATOM     17  N   LIG    1        4.272   3.662   0.243  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1        3.478   4.254   0.461  0.00  0.00    +0.149 HD
ATOM     19  O   LIG    1        5.575   1.953   1.044  0.00  0.00    -0.276 OA
ENDBRANCH  14  17
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  20
ATOM     20  C   LIG    1       -1.962   1.480  -0.671  0.00  0.00    +0.139 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.559   0.199  -0.146  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -3.634  -0.414  -0.800  0.00  0.00    +0.006 A 
ATOM     23  C   LIG    1       -4.165  -1.615  -0.319  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1       -3.624  -2.229   0.819  0.00  0.00    -0.010 A 
ATOM     25  C   LIG    1       -2.543  -1.620   1.467  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1       -2.015  -0.418   0.989  0.00  0.00    +0.006 A 
BRANCH  24  27
ATOM     27  C   LIG    1       -4.196  -3.477   1.321  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1       -5.482  -3.761   1.763  0.00  0.00    +0.053 A 
ATOM     29  C   LIG    1       -6.623  -2.812   1.864  0.00  0.00    +0.067 C 
ATOM     30  N   LIG    1       -5.693  -5.077   2.150  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1       -4.582  -5.762   2.006  0.00  0.00    +0.156 A 
ATOM     32  S   LIG    1       -3.233  -4.899   1.404  0.00  0.00    -0.075 S 
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 7