REMARK  Name = BDB049283
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.277   1.704  -1.292  0.00  0.00    +0.124 A 
ATOM      2  N   LIG    1        1.397   1.242  -2.297  0.00  0.00    -0.268 N 
ATOM      3  C   LIG    1        0.146   0.682  -2.064  0.00  0.00    +0.170 A 
ATOM      4  N   LIG    1       -0.397   0.332  -3.213  0.00  0.00    -0.129 NA
ATOM      5  N   LIG    1        0.459   0.702  -4.221  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.317   0.592  -0.713  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1        0.487   1.088   0.255  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1        1.505   1.265  -3.664  0.00  0.00    +0.231 A 
ATOM      9  C   LIG    1        1.809   1.654  -0.017  0.00  0.00    +0.091 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -1.638   0.043  -0.322  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1       -1.759  -0.908   0.702  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1       -3.011  -1.418   1.060  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.172  -0.993   0.401  0.00  0.00    -0.033 A 
ATOM     14  C   LIG    1       -4.050  -0.056  -0.634  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -2.798   0.454  -0.992  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.529  -1.548   0.784  0.00  0.00    +0.119 C 
BRANCH  16  17
ATOM     17  N   LIG    1       -6.276  -0.825   1.823  0.00  0.00    -0.304 NA
ATOM     18  C   LIG    1       -6.657   0.526   1.425  0.00  0.00    +0.104 C 
ATOM     19  C   LIG    1       -5.614  -0.827   3.122  0.00  0.00    +0.104 C 
ENDBRANCH  16  17
ENDBRANCH  13  16
ENDBRANCH   6  10
BRANCH   1  20
ATOM     20  N   LIG    1        3.543   2.193  -1.673  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        3.989   2.699  -0.902  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        4.574   1.296  -2.234  0.00  0.00    +0.145 C 
BRANCH  22  26
ATOM     23  C   LIG    1        6.865  -1.484   1.708  0.00  0.00    +0.051 C 
ATOM     24  C   LIG    1        6.054  -1.085   0.524  0.00  0.00    -0.013 A 
ATOM     25  S   LIG    1        6.120   0.525  -0.049  0.00  0.00    -0.097 S 
ATOM     26  C   LIG    1        5.002   0.199  -1.304  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1        4.594  -1.119  -1.289  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        5.201  -1.859  -0.234  0.00  0.00    +0.011 A 
ENDBRANCH  22  26
ENDBRANCH  20  22
ENDBRANCH   1  20
BRANCH   9  29
ATOM     29  C   LIG    1        2.574   2.113   1.096  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        3.194   2.501   1.997  0.00  0.00    -0.191 NA
ENDBRANCH   9  29
TORSDOF 7