REMARK  Name = BDB015664
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.817   0.525  -0.890  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1       -0.011   1.527  -1.194  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -1.269   1.372  -0.767  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.750   0.288  -0.134  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.875  -0.700   0.135  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.443  -0.636  -0.261  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.437  -1.880   0.838  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.714  -2.518   1.781  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.202  -3.620   2.470  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.349  -4.244   3.469  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.476  -4.136   2.247  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.956  -5.112   2.817  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.291  -3.418   1.234  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.788  -2.360   0.587  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.115   0.751  -1.419  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1        2.069   1.669  -1.871  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.376   0.779  -0.292  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1        3.205  -0.322   0.633  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1        3.486   2.143   0.174  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1        4.804   0.399  -1.343  0.00  0.00    +0.148 C 
ATOM     21  C   LIG    1        4.959   1.435  -2.456  0.00  0.00    +0.033 C 
BRANCH  20  23
ATOM     22  C   LIG    1        7.292  -0.195  -1.213  0.00  0.00    +0.006 C 
ATOM     23  C   LIG    1        6.062   0.296  -0.463  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       -2.135   2.404  -1.109  0.00  0.00    -0.420 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.317   2.453  -0.406  0.00  0.00    +0.173 A 
ATOM     26  C   LIG    1       -3.317   2.782   0.951  0.00  0.00    +0.201 A 
ATOM     27  F   LIG    1       -2.163   3.036   1.586  0.00  0.00    -0.199 F 
ATOM     28  C   LIG    1       -4.517   2.855   1.644  0.00  0.00    +0.162 A 
ATOM     29  F   LIG    1       -4.525   3.165   2.948  0.00  0.00    -0.202 F 
ATOM     30  C   LIG    1       -5.724   2.616   0.995  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -5.730   2.308  -0.368  0.00  0.00    +0.010 A 
ATOM     32  C   LIG    1       -4.526   2.235  -1.088  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -4.537   1.897  -2.551  0.00  0.00    +0.047 C 
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7