REMARK  Name = BDB015657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.259   0.180   0.043  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.541   1.228  -0.149  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.853   0.969  -0.037  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.390  -0.236   0.197  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.533  -1.264   0.369  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.169  -1.102   0.277  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.129  -2.597   0.646  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.312  -2.909   0.081  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.931  -4.136   0.280  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -5.204  -4.382  -0.380  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.377  -5.129   1.081  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.867  -6.237   1.280  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -2.089  -4.781   1.734  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.519  -3.588   1.521  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.622   0.527  -0.135  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.635   1.515  -0.399  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.612   0.332   1.220  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.224  -0.861   1.943  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.657   1.618   1.881  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.224   0.017   0.452  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        4.189  -1.277  -0.360  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        6.119   1.106  -0.874  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        4.686   1.228  -0.374  0.00  0.00    +0.024 C 
ENDBRANCH  20  23
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -2.774   1.990  -0.232  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.266   3.263  -0.160  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -2.080   4.023  -1.315  0.00  0.00    +0.086 A 
ATOM     27 CL   LIG    1       -2.436   3.383  -2.877  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -1.587   5.329  -1.221  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -1.290   5.879   0.029  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.491   5.126   1.185  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -1.984   3.827   1.085  0.00  0.00    +0.167 A 
ATOM     32  F   LIG    1       -2.186   3.122   2.206  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7