REMARK  Name = BDB015581
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.462  -2.496   0.196  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.901  -1.236   0.123  0.00  0.00    -0.211 NA
ATOM      3  C   LIG    1        0.017  -0.271   0.427  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -1.274  -0.490   0.713  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1       -1.675  -1.773   0.698  0.00  0.00    +0.226 A 
ATOM      6  C   LIG    1       -0.843  -2.833   0.445  0.00  0.00    +0.112 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        0.478   1.141   0.416  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        1.796   1.413   0.460  0.00  0.00    +0.100 A 
ATOM      9  N   LIG    1        2.289   2.709   0.448  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1        3.731   2.895   0.510  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        1.460   3.828   0.399  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1        1.863   4.988   0.384  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -0.012   3.546   0.365  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -0.924   4.729   0.327  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.439   2.273   0.376  0.00  0.00    +0.021 A 
ENDBRANCH   3   7
BRANCH   1  16
ATOM     16  N   LIG    1        1.371  -3.497  -0.216  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        1.060  -4.465  -0.158  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.976  -3.371   0.253  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.503  -4.712   0.093  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        3.068  -2.694   1.527  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.682  -2.354  -1.045  0.00  0.00    +0.188 C 
BRANCH  21  23
ATOM     22  C   LIG    1        5.786  -1.304  -1.933  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1        5.184  -2.185  -0.851  0.00  0.00    +0.021 C 
ENDBRANCH  21  23
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   5  24
ATOM     24  O   LIG    1       -3.005  -2.086   0.970  0.00  0.00    -0.433 OA
BRANCH  24  25
ATOM     25  C   LIG    1       -3.877  -1.016   0.961  0.00  0.00    +0.189 A 
ATOM     26  C   LIG    1       -4.434  -0.590  -0.258  0.00  0.00    +0.163 A 
ATOM     27  C   LIG    1       -5.327   0.484  -0.251  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.668   1.114   0.951  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -5.126   0.671   2.158  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -4.231  -0.403   2.170  0.00  0.00    +0.098 A 
BRANCH  26  31
ATOM     31  O   LIG    1       -4.048  -1.287  -1.373  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -4.526  -0.823  -2.629  0.00  0.00    +0.277 C 
ENDBRANCH  26  31
BRANCH  30  33
ATOM     33  C   LIG    1       -3.692  -0.860   3.417  0.00  0.00    +0.103 C 
ATOM     34  N   LIG    1       -3.272  -1.228   4.435  0.00  0.00    -0.191 NA
ENDBRANCH  30  33
ENDBRANCH  24  25
ENDBRANCH   5  24
TORSDOF 9