REMARK  Name = BDB033696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.720  -0.168   2.983  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.142  -0.282   1.680  0.00  0.00    +0.237 A 
ATOM      3  N   LIG    1       -0.325  -0.141   0.613  0.00  0.00    -0.178 NA
ATOM      4  C   LIG    1        0.979   0.085   0.855  0.00  0.00    +0.223 A 
ATOM      5  N   LIG    1        1.477   0.196   2.094  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1        0.621   0.073   3.132  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -2.261  -0.395   5.042  0.00  0.00    -0.191 NA
ATOM      8  C   LIG    1       -1.584  -0.294   4.105  0.00  0.00    +0.106 C 
ENDBRANCH   1   8
BRANCH   4   9
ATOM      9  N   LIG    1        1.778   0.195  -0.278  0.00  0.00    -0.284 N 
ATOM     10  H   LIG    1        1.218   0.060  -1.109  0.00  0.00    +0.155 HD
BRANCH   9  11
ATOM     11  C   LIG    1        3.136   0.462  -0.486  0.00  0.00    +0.034 A 
ATOM     12  C   LIG    1        4.048   0.727   0.543  0.00  0.00    +0.025 A 
ATOM     13  C   LIG    1        5.398   0.981   0.272  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.852   0.960  -1.046  0.00  0.00    +0.105 A 
ATOM     15  C   LIG    1        4.968   0.710  -2.093  0.00  0.00    +0.030 A 
ATOM     16  C   LIG    1        3.622   0.460  -1.807  0.00  0.00    +0.025 A 
BRANCH  14  17
ATOM     17  S   LIG    1        7.562   1.284  -1.381  0.00  0.00    +0.056 S 
ATOM     18  O   LIG    1        7.715   1.526  -2.797  0.00  0.00    -0.153 OA
ATOM     19  O   LIG    1        8.060   2.193  -0.377  0.00  0.00    -0.153 OA
BRANCH  17  20
ATOM     20  N   LIG    1        8.251  -0.228  -1.105  0.00  0.00    -0.204 NA
ATOM     21  H   LIG    1        8.638  -0.578  -1.982  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        7.606  -0.893  -0.679  0.00  0.00    +0.144 HD
ENDBRANCH  17  20
ENDBRANCH  14  17
ENDBRANCH   9  11
ENDBRANCH   4   9
BRANCH   2  23
ATOM     23  O   LIG    1       -2.487  -0.502   1.461  0.00  0.00    -0.470 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.862  -0.964   0.145  0.00  0.00    +0.203 C 
ATOM     25  C   LIG    1       -3.104   0.254  -0.786  0.00  0.00    +0.155 C 
ATOM     26  C   LIG    1       -4.229   0.072  -1.804  0.00  0.00    +0.035 C 
ATOM     27  C   LIG    1       -5.655   0.101  -1.237  0.00  0.00    +0.003 C 
ATOM     28  C   LIG    1       -5.785   0.056   0.283  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -5.321  -1.245   0.932  0.00  0.00    +0.004 C 
ATOM     30  C   LIG    1       -4.072  -1.889   0.336  0.00  0.00    +0.047 C 
BRANCH  25  31
ATOM     31  O   LIG    1       -1.904   0.509  -1.538  0.00  0.00    -0.388 OA
ATOM     32  H   LIG    1       -1.185   0.543  -0.874  0.00  0.00    +0.210 HD
ENDBRANCH  25  31
ENDBRANCH  23  24
ENDBRANCH   2  23
TORSDOF 8