REMARK  Name = BDB015561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.136  -0.645   1.348  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        1.579   0.617   1.362  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.867   1.522   0.661  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -0.291   1.182  -0.007  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -0.675  -0.133   0.097  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1        0.032  -1.077   0.723  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.408   2.906   0.674  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1        1.328   3.687  -0.421  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1        1.842   4.976  -0.454  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1        1.687   5.754  -1.674  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        2.493   5.550   0.635  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        2.970   6.681   0.661  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        2.599   4.693   1.841  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        2.086   3.457   1.840  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -1.769  -0.720  -0.595  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -1.881  -1.655  -0.199  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -3.221   0.133  -0.570  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -3.624   0.231   0.815  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -3.069   1.315  -1.393  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -4.334  -1.018  -1.405  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1       -3.851  -1.352  -2.812  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -5.746  -0.441  -1.441  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1        1.920  -1.548   2.060  0.00  0.00    -0.422 OA
BRANCH  23  26
ATOM     24  C   LIG    1        3.611  -2.454  -0.067  0.00  0.00    +0.047 C 
ATOM     25  C   LIG    1        2.642  -3.353   0.649  0.00  0.00    -0.007 A 
ATOM     26  C   LIG    1        1.811  -2.867   1.676  0.00  0.00    +0.152 A 
ATOM     27  C   LIG    1        0.941  -3.726   2.363  0.00  0.00    +0.094 A 
ATOM     28  C   LIG    1        0.866  -5.074   1.988  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        1.656  -5.557   0.945  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        2.538  -4.703   0.280  0.00  0.00    +0.007 A 
BRANCH  27  31
ATOM     31  C   LIG    1        0.122  -3.256   3.442  0.00  0.00    +0.103 C 
ATOM     32  N   LIG    1       -0.560  -2.905   4.314  0.00  0.00    -0.191 NA
ENDBRANCH  27  31
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 7