REMARK  Name = BDB003706
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.236  -0.053  -0.058  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1       -0.145   1.275   0.436  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1       -1.226   2.147   0.245  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -2.375   1.716  -0.418  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -2.444   0.406  -0.900  0.00  0.00    +0.107 A 
ATOM      6  C   LIG    1       -1.375  -0.480  -0.738  0.00  0.00    +0.053 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.060   1.685   1.065  0.00  0.00    -0.328 N 
ATOM      8  C   LIG    1        1.958   2.349   0.096  0.00  0.00    +0.105 C 
ATOM      9  C   LIG    1        3.174   2.908   0.828  0.00  0.00    +0.019 C 
ATOM     10  C   LIG    1        2.771   3.972   1.850  0.00  0.00    +0.003 C 
ATOM     11  C   LIG    1        1.326   3.816   2.326  0.00  0.00    +0.019 C 
ATOM     12  C   LIG    1        0.898   2.352   2.372  0.00  0.00    +0.105 C 
ENDBRANCH   2   7
BRANCH   1  14
ATOM     13  C   LIG    1        1.108  -2.176  -0.180  0.00  0.00    +0.258 C 
ATOM     14  N   LIG    1        0.877  -0.874   0.203  0.00  0.00    -0.281 N 
ATOM     15  H   LIG    1        1.619  -0.389   0.708  0.00  0.00    +0.155 HD
ATOM     16  O   LIG    1        0.337  -2.896  -0.809  0.00  0.00    -0.271 OA
BRANCH  13  18
ATOM     17  C   LIG    1        2.267  -3.297   1.708  0.00  0.00    +0.062 C 
ATOM     18  C   LIG    1        2.466  -2.714   0.311  0.00  0.00    +0.256 C 
BRANCH  18  19
ATOM     19  O   LIG    1        3.482  -1.717   0.427  0.00  0.00    -0.480 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.037  -1.210  -0.716  0.00  0.00    +0.123 A 
ATOM     21  C   LIG    1        5.005  -0.227  -0.496  0.00  0.00    +0.065 A 
ATOM     22  C   LIG    1        5.628   0.400  -1.573  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        6.799   1.627  -1.286  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        5.300   0.047  -2.879  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.341  -0.940  -3.103  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        3.710  -1.568  -2.025  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  13  18
ENDBRANCH   1  14
BRANCH   5  27
ATOM     27  S   LIG    1       -3.899  -0.114  -1.774  0.00  0.00    +0.061 S 
ATOM     28  O   LIG    1       -3.593  -1.304  -2.538  0.00  0.00    -0.153 OA
ATOM     29  O   LIG    1       -4.460   1.055  -2.420  0.00  0.00    -0.153 OA
BRANCH  27  30
ATOM     30  N   LIG    1       -4.956  -0.567  -0.511  0.00  0.00    -0.172 NA
ATOM     31  C   LIG    1       -6.367  -0.807  -0.970  0.00  0.00    +0.137 C 
ATOM     32  C   LIG    1       -6.688  -2.304  -1.009  0.00  0.00    +0.177 C 
ATOM     33  O   LIG    1       -6.597  -2.928   0.280  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -5.624  -2.314   1.137  0.00  0.00    +0.177 C 
ATOM     35  C   LIG    1       -4.461  -1.679   0.369  0.00  0.00    +0.137 C 
ENDBRANCH  27  30
ENDBRANCH   5  27
TORSDOF 7