REMARK  Name = BDB015579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.648   0.942   0.293  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        1.059   0.220  -0.658  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.034   0.771  -1.199  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -0.538   1.974  -0.886  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1        0.074   2.646   0.110  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        1.198   2.160   0.742  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -0.515   3.954   0.494  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.041   4.733  -0.470  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.598   5.973  -0.201  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -2.128   6.745  -1.314  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -1.655   6.507   1.085  0.00  0.00    +0.254 A 
ATOM     12  O   LIG    1       -2.115   7.613   1.357  0.00  0.00    -0.267 OA
ATOM     13  C   LIG    1       -1.111   5.634   2.176  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -1.214   6.161   3.572  0.00  0.00    +0.049 C 
ATOM     15  C   LIG    1       -0.585   4.438   1.865  0.00  0.00    +0.020 A 
ENDBRANCH   5   7
BRANCH   1  16
ATOM     16  N   LIG    1        2.772   0.320   0.886  0.00  0.00    -0.204 N 
ATOM     17  H   LIG    1        3.504   0.961   1.190  0.00  0.00    +0.175 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.420  -0.730   2.152  0.00  0.00    +0.044 S 
ATOM     19  O   LIG    1        3.350  -0.348   3.196  0.00  0.00    -0.155 OA
ATOM     20  O   LIG    1        0.998  -0.757   2.416  0.00  0.00    -0.155 OA
BRANCH  18  21
ATOM     21  C   LIG    1        2.954  -2.318   1.518  0.00  0.00    +0.188 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.155  -2.795   0.315  0.00  0.00    +0.024 C 
BRANCH  22  24
ATOM     23  C   LIG    1        2.199  -5.296   0.803  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        2.565  -4.186  -0.170  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
BRANCH   3  25
ATOM     25  O   LIG    1       -0.693   0.097  -2.214  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -0.720  -1.251  -2.192  0.00  0.00    +0.175 A 
ATOM     27  C   LIG    1       -1.301  -2.044  -1.224  0.00  0.00    +0.079 A 
ATOM     28  C   LIG    1       -2.008  -1.704   0.034  0.00  0.00    +0.069 C 
ATOM     29  N   LIG    1       -1.087  -3.330  -1.658  0.00  0.00    -0.265 N 
ATOM     30  N   LIG    1       -0.451  -3.403  -2.847  0.00  0.00    -0.172 NA
ATOM     31  C   LIG    1       -0.239  -2.126  -3.186  0.00  0.00    +0.102 A 
ATOM     32  C   LIG    1        0.445  -1.780  -4.452  0.00  0.00    +0.071 C 
BRANCH  29  33
ATOM     33  C   LIG    1       -1.453  -4.566  -0.990  0.00  0.00    +0.140 C 
ATOM     34  C   LIG    1       -2.800  -5.091  -1.453  0.00  0.00    +0.029 C 
ENDBRANCH  29  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 9