REMARK  Name = BDB015667
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.243   0.684   0.425  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.067  -0.178  -0.576  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.190  -0.290  -1.013  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.239   0.419  -0.561  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -1.008   1.278   0.451  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.248   1.442   0.995  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -2.204   1.994   0.961  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -2.119   3.277   1.364  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -3.219   3.983   1.832  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -3.032   5.364   2.250  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.492   3.422   1.905  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -5.498   3.998   2.309  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -4.600   2.015   1.443  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -3.518   1.364   1.000  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.570   0.730   0.904  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.955   1.661   1.053  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        2.912  -0.237   2.229  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        4.033   0.422   2.871  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        1.694  -0.449   2.982  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        3.515  -1.802   1.535  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        2.372  -2.800   1.354  0.00  0.00    +0.033 C 
BRANCH  20  22
ATOM     22  C   LIG    1        4.316  -1.649   0.231  0.00  0.00    +0.027 C 
BRANCH  22  24
ATOM     23  C   LIG    1        6.438  -0.883  -0.892  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        5.620  -0.864   0.391  0.00  0.00    -0.001 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -0.372  -1.171  -2.070  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -1.624  -1.733  -2.164  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -2.097  -2.588  -1.164  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -1.342  -2.855  -0.088  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -3.349  -3.182  -1.270  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.135  -2.930  -2.394  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -3.659  -2.094  -3.409  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -2.394  -1.495  -3.312  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -1.895  -0.593  -4.403  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8