REMARK  Name = BDB015658
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.104   0.352  -0.232  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.786   1.341  -0.309  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -2.050   0.991  -0.022  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -2.464  -0.248   0.277  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.522  -1.212   0.326  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1       -0.198  -0.955   0.052  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.981  -2.582   0.674  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -3.204  -2.979   0.273  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.704  -4.245   0.548  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -5.033  -4.583   0.065  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.978  -5.194   1.262  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.357  -6.332   1.520  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -1.641  -4.753   1.736  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -1.190  -3.524   1.454  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.404   0.792  -0.589  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        1.314   1.779  -0.847  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.576   0.674   0.624  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        2.381  -0.544   1.381  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        2.607   1.969   1.268  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.082   0.491  -0.367  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        4.017  -0.770  -1.226  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        6.634   0.530  -0.173  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        5.304   0.502   0.567  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       -3.058   1.944  -0.086  0.00  0.00    -0.419 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -2.636   3.250  -0.071  0.00  0.00    +0.185 A 
ATOM     26  C   LIG    1       -2.664   4.021  -1.234  0.00  0.00    +0.086 A 
ATOM     27 CL   LIG    1       -3.185   3.357  -2.739  0.00  0.00    -0.080 Cl
ATOM     28  C   LIG    1       -2.256   5.358  -1.196  0.00  0.00    +0.024 A 
ATOM     29  C   LIG    1       -1.831   5.929   0.007  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -1.818   5.164   1.172  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -2.226   3.834   1.128  0.00  0.00    +0.167 A 
ATOM     32  F   LIG    1       -2.223   3.116   2.260  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7