REMARK  Name = BDB002736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.027  -0.346   0.568  0.00  0.00    -0.305 N 
ATOM      2  C   LIG    1        1.711   0.816   0.797  0.00  0.00    +0.192 A 
ATOM      3  N   LIG    1        1.060   1.830   0.281  0.00  0.00    -0.122 NA
ATOM      4  N   LIG    1       -0.068   1.336  -0.323  0.00  0.00    -0.132 NA
ATOM      5  C   LIG    1       -0.080   0.025  -0.164  0.00  0.00    +0.151 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1        2.221  -2.431  -0.012  0.00  0.00    +0.027 C 
ATOM      7  C   LIG    1        1.376  -1.682   1.004  0.00  0.00    +0.122 C 
ENDBRANCH   1   7
BRANCH   2   8
ATOM      8  S   LIG    1        3.213   0.923   1.645  0.00  0.00    -0.078 S 
BRANCH   8   9
ATOM      9  C   LIG    1        4.191   1.828   0.410  0.00  0.00    +0.157 C 
BRANCH   9  10
ATOM     10  C   LIG    1        4.812   0.844  -0.562  0.00  0.00    +0.173 C 
ATOM     11  O   LIG    1        4.156   0.312  -1.459  0.00  0.00    -0.291 OA
BRANCH  10  12
ATOM     12  C   LIG    1        6.259   0.501  -0.433  0.00  0.00    +0.018 A 
ATOM     13  C   LIG    1        6.958   0.628   0.773  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        8.312   0.288   0.835  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        8.970  -0.185  -0.299  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        8.277  -0.326  -1.499  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        6.924   0.012  -1.566  0.00  0.00    +0.011 A 
ENDBRANCH  10  12
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   2   8
BRANCH   5  18
ATOM     18  C   LIG    1       -1.129  -0.893  -0.683  0.00  0.00    +0.180 C 
BRANCH  18  19
ATOM     19  N   LIG    1       -2.337  -0.667   0.075  0.00  0.00    -0.308 N 
ATOM     20  H   LIG    1       -2.788   0.232  -0.050  0.00  0.00    +0.149 HD
ATOM     21  C   LIG    1       -2.707  -1.460   1.133  0.00  0.00    +0.218 C 
ATOM     22  O   LIG    1       -2.079  -2.467   1.457  0.00  0.00    -0.275 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.902  -0.972   1.936  0.00  0.00    +0.130 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.033  -0.404   1.110  0.00  0.00    -0.038 A 
ATOM     25  C   LIG    1       -5.316   0.968   1.134  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -6.352   1.496   0.355  0.00  0.00    +0.046 A 
ATOM     27  C   LIG    1       -7.117   0.659  -0.457  0.00  0.00    +0.120 A 
ATOM     28  C   LIG    1       -6.838  -0.709  -0.479  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -5.806  -1.240   0.297  0.00  0.00    +0.007 A 
BRANCH  27  30
ATOM     30  O   LIG    1       -8.151   1.045  -1.264  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1       -8.466   2.431  -1.289  0.00  0.00    +0.277 C 
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  18  19
ENDBRANCH   5  18
TORSDOF 10