REMARK  Name = BDB002061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.749  -0.400  -0.256  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -0.580  -0.540   0.078  0.00  0.00    +0.167 A 
ATOM      3  N   LIG    1       -0.681  -1.508   0.973  0.00  0.00    -0.128 NA
ATOM      4  N   LIG    1        0.572  -1.986   1.252  0.00  0.00    -0.122 NA
ATOM      5  C   LIG    1        1.420  -1.311   0.517  0.00  0.00    +0.192 A 
ENDROOT
BRANCH   2   6
ATOM      6  C   LIG    1       -1.834   0.259  -0.429  0.00  0.00    +0.044 A 
ATOM      7  C   LIG    1       -3.188   0.018  -0.027  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -3.991   0.941  -0.700  0.00  0.00    +0.047 A 
ATOM      9  C   LIG    1       -5.382   0.996  -0.547  0.00  0.00    +0.026 A 
ATOM     10  C   LIG    1       -5.976   0.078   0.322  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -5.208  -0.857   1.010  0.00  0.00    +0.001 A 
ATOM     12  N   LIG    1       -3.158   1.710  -1.476  0.00  0.00    -0.360 N 
ATOM     13  H   LIG    1       -3.469   2.462  -2.076  0.00  0.00    +0.165 HD
ATOM     14  C   LIG    1       -3.818  -0.897   0.845  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1       -1.853   1.312  -1.317  0.00  0.00    +0.095 A 
ENDBRANCH   2   6
BRANCH   1  16
ATOM     16  C   LIG    1        1.325   0.499  -1.225  0.00  0.00    +0.154 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.643   1.867  -0.634  0.00  0.00    +0.181 C 
BRANCH  17  19
ATOM     18  C   LIG    1        2.358   4.039  -1.211  0.00  0.00    +0.194 C 
ATOM     19  O   LIG    1        2.011   2.748  -1.697  0.00  0.00    -0.381 OA
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   1  16
BRANCH   5  20
ATOM     20  S   LIG    1        3.137  -1.499   0.538  0.00  0.00    -0.077 S 
BRANCH  20  21
ATOM     21  C   LIG    1        3.269  -3.106   1.376  0.00  0.00    +0.172 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.733  -3.460   1.534  0.00  0.00    +0.221 C 
ATOM     23  O   LIG    1        5.390  -4.046   0.680  0.00  0.00    -0.275 OA
ATOM     24  N   LIG    1        5.311  -3.074   2.712  0.00  0.00    -0.329 N 
ATOM     25  H   LIG    1        6.312  -3.211   2.783  0.00  0.00    +0.145 HD
ATOM     26  H   LIG    1        4.894  -2.356   3.289  0.00  0.00    +0.145 HD
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   5  20
TORSDOF 7