REMARK  Name = BDB049635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.238   1.198   1.137  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -0.757   0.226   0.980  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.023   0.637   1.338  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.060   1.310   2.086  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.503  -0.908   0.580  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        4.165  -0.372   0.427  0.00  0.00    -0.300 NA
ATOM      7  C   LIG    1        3.452   0.193  -0.743  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.945   0.405  -0.552  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        1.650   0.821   0.888  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        2.168  -0.236   1.877  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.237  -1.148   1.262  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        5.394  -1.114   0.019  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        6.138  -1.710   1.229  0.00  0.00    +0.024 C 
BRANCH  12  14
ATOM     14  C   LIG    1        6.356  -0.178  -0.770  0.00  0.00    +0.018 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.457  -2.011  -2.172  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        7.665  -0.800  -1.276  0.00  0.00    -0.002 C 
ENDBRANCH  14  16
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  17
ATOM     17  C   LIG    1       -3.238  -0.023   1.062  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -3.371  -1.030   0.111  0.00  0.00    +0.023 A 
ATOM     19  C   LIG    1       -4.619  -1.622  -0.127  0.00  0.00    +0.006 A 
ATOM     20  C   LIG    1       -5.774  -1.223   0.571  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -5.623  -0.198   1.516  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1       -4.376   0.396   1.755  0.00  0.00    +0.023 A 
BRANCH  20  23
ATOM     23  C   LIG    1       -7.124  -1.901   0.282  0.00  0.00    -0.013 C 
ATOM     24  C   LIG    1       -7.019  -3.414   0.573  0.00  0.00    +0.015 C 
ATOM     25  C   LIG    1       -8.292  -1.353   1.133  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -7.503  -1.693  -1.200  0.00  0.00    +0.015 C 
ENDBRANCH  20  23
ENDBRANCH   3  17
BRANCH   1  27
ATOM     27  C   LIG    1       -0.031   2.639   1.239  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1        0.061   3.356  -0.088  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -0.898   3.137  -1.088  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -0.808   3.796  -2.314  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        0.239   4.683  -2.555  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        1.199   4.910  -1.571  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1        1.111   4.251  -0.343  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8