REMARK  Name = BDB015684
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.615  -0.035   1.451  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.252  -0.998   1.769  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.462  -0.880   1.210  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.851   0.126   0.406  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.942   1.081   0.133  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.326   1.056   0.671  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.414   2.180  -0.746  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.584   2.735  -1.651  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.989   3.755  -2.502  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.022   4.294  -3.445  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.285   4.266  -2.492  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.697   5.167  -3.217  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.213   3.642  -1.516  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.788   2.663  -0.708  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        1.852  -0.216   2.125  0.00  0.00    -0.204 N 
ATOM     16  H   LIG    1        1.747  -1.084   2.657  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.210  -0.355   1.122  0.00  0.00    +0.044 S 
ATOM     18  O   LIG    1        3.260  -1.730   0.682  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.225   0.747   0.183  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.506  -0.080   2.324  0.00  0.00    +0.188 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.893   0.048   1.700  0.00  0.00    +0.024 C 
BRANCH  21  23
ATOM     22  C   LIG    1        6.569  -2.401   1.975  0.00  0.00    +0.004 C 
ATOM     23  C   LIG    1        6.449  -1.213   1.034  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       -2.361  -1.883   1.551  0.00  0.00    -0.417 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.565  -1.846   0.889  0.00  0.00    +0.208 A 
ATOM     26  C   LIG    1       -3.720  -2.496  -0.344  0.00  0.00    +0.165 A 
ATOM     27  C   LIG    1       -4.969  -2.454  -0.974  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -6.043  -1.781  -0.377  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1       -5.880  -1.151   0.855  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.642  -1.192   1.484  0.00  0.00    +0.169 A 
ATOM     31  F   LIG    1       -4.494  -0.587   2.672  0.00  0.00    -0.202 F 
BRANCH  26  32
ATOM     32  O   LIG    1       -2.611  -3.136  -0.831  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1       -2.701  -3.697  -2.134  0.00  0.00    +0.277 C 
ENDBRANCH  26  32
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 9