REMARK  Name = BDB015801
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.423   0.301  -1.260  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.390  -0.640  -1.743  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.480  -0.879  -1.005  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.786  -0.270   0.152  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.939   0.685   0.584  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.190   1.033  -0.123  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.328   1.363   1.846  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.391   1.709   2.751  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.711   2.333   3.948  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        0.368   2.676   4.861  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.022   2.640   4.304  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.363   3.202   5.340  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.064   2.235   3.326  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.719   1.634   2.180  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.521   0.532  -2.130  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.389  -0.110  -2.916  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.047   0.250  -1.451  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.142   0.946  -0.186  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.286  -1.172  -1.559  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.074   1.107  -2.638  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.537   1.205  -2.214  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.347  -0.873  -3.462  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.306  -0.117  -2.143  0.00  0.00    -0.002 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  24
ATOM     24  O   LIG    1       -2.304  -1.888  -1.489  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.568  -1.942  -0.951  0.00  0.00    +0.172 A 
ATOM     26  C   LIG    1       -3.928  -3.037  -0.154  0.00  0.00    +0.030 A 
ATOM     27  C   LIG    1       -2.944  -4.117   0.181  0.00  0.00    +0.050 C 
ATOM     28  C   LIG    1       -5.226  -3.068   0.369  0.00  0.00    +0.130 A 
ATOM     29  F   LIG    1       -5.603  -4.082   1.160  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.154  -2.066   0.086  0.00  0.00    +0.041 A 
ATOM     31  C   LIG    1       -5.794  -1.000  -0.735  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1       -4.504  -0.946  -1.252  0.00  0.00    +0.166 A 
ATOM     33  F   LIG    1       -4.169   0.078  -2.051  0.00  0.00    -0.202 F 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8