REMARK  Name = BDB008657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.996  -0.424   0.003  0.00  0.00    -0.246 N 
ATOM      2  C   LIG    1       -1.632   0.860   0.287  0.00  0.00    +0.159 A 
ATOM      3  C   LIG    1       -0.308   0.973  -0.112  0.00  0.00    +0.044 A 
ATOM      4  C   LIG    1        0.312   2.222   0.051  0.00  0.00    +0.015 A 
ATOM      5  C   LIG    1       -0.448   3.252   0.608  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.764   3.001   0.971  0.00  0.00    +0.113 A 
ATOM      7  C   LIG    1        0.038  -0.321  -0.607  0.00  0.00    +0.092 A 
ATOM      8  N   LIG    1       -2.408   1.819   0.834  0.00  0.00    -0.236 NA
ATOM      9  N   LIG    1       -1.008  -1.168  -0.542  0.00  0.00    -0.172 NA
ENDROOT
BRANCH   7  10
ATOM     10  C   LIG    1        1.368  -0.758  -1.182  0.00  0.00    +0.124 C 
ATOM     11  C   LIG    1        1.334  -2.109  -1.908  0.00  0.00    +0.035 C 
BRANCH  10  12
ATOM     12  N   LIG    1        2.441  -0.715  -0.152  0.00  0.00    -0.288 N 
ATOM     13  C   LIG    1        3.437   0.264  -0.308  0.00  0.00    +0.246 C 
ATOM     14  O   LIG    1        3.340   1.149  -1.165  0.00  0.00    -0.273 OA
BRANCH  13  15
ATOM     15  C   LIG    1        4.689   0.198   0.600  0.00  0.00    +0.217 C 
ATOM     16  O   LIG    1        5.256   1.505   0.805  0.00  0.00    -0.365 OA
ATOM     17  C   LIG    1        6.545   1.685   0.212  0.00  0.00    +0.176 C 
ATOM     18  C   LIG    1        6.648   1.041  -1.173  0.00  0.00    +0.109 C 
ATOM     19  N   LIG    1        6.458  -0.421  -1.145  0.00  0.00    -0.311 NA
ATOM     20  H   LIG    1        5.943  -0.681  -1.988  0.00  0.00    +0.122 HD
ATOM     21  C   LIG    1        5.700  -0.834   0.050  0.00  0.00    +0.122 C 
ENDBRANCH  13  15
BRANCH  12  22
ATOM     22  C   LIG    1        2.536  -1.809   0.795  0.00  0.00    +0.077 C 
ATOM     23  C   LIG    1        1.380  -2.311   1.627  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        2.497  -1.577   2.288  0.00  0.00    +0.024 C 
ENDBRANCH  12  22
ENDBRANCH  10  12
ENDBRANCH   7  10
BRANCH   1  25
ATOM     25  C   LIG    1       -3.300  -1.018   0.229  0.00  0.00    +0.147 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.169  -0.978  -1.025  0.00  0.00    +0.042 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -5.505  -1.682  -0.814  0.00  0.00    +0.109 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -7.102   0.079  -0.165  0.00  0.00    +0.400 C 
ATOM     29  N   LIG    1       -6.347  -1.011   0.147  0.00  0.00    -0.281 N 
ATOM     30  H   LIG    1       -6.367  -1.295   1.117  0.00  0.00    +0.152 HD
ATOM     31  O   LIG    1       -7.187   0.589  -1.272  0.00  0.00    -0.226 OA
BRANCH  28  33
ATOM     32  C   LIG    1       -8.554   1.661   0.743  0.00  0.00    +0.282 C 
ATOM     33  O   LIG    1       -7.740   0.506   0.951  0.00  0.00    -0.454 OA
ENDBRANCH  28  33
ENDBRANCH  27  29
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 9