REMARK  Name = BDB028397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.054  -1.905   1.421  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1        1.606  -2.528   2.521  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1        2.858  -2.217   3.172  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        0.863  -3.546   2.996  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1       -0.206  -3.559   2.200  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1       -0.148  -2.563   1.205  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1       -1.085  -2.251   0.148  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1       -1.694  -0.990   0.101  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -2.564  -0.664  -0.945  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -2.828  -1.606  -1.935  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -3.720  -1.243  -3.047  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1       -4.215   0.037  -3.033  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1       -4.834   0.305  -3.791  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1       -3.991   0.975  -2.071  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1       -3.993  -2.045  -3.933  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1       -2.247  -2.879  -1.881  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1       -3.222   0.659  -1.069  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1       -1.377  -3.201  -0.838  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1       -3.001   1.718   0.008  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -1.664   2.289  -0.145  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1       -1.532   3.007   0.570  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1       -1.630   2.779  -1.039  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1        2.342   1.499   0.292  0.00  0.00    +0.138 A 
ATOM     24  C   LIG    1        1.705   0.515   1.076  0.00  0.00    +0.102 A 
ATOM     25  C   LIG    1        1.705  -0.833   0.660  0.00  0.00    +0.022 A 
ATOM     26  C   LIG    1        2.331  -1.177  -0.545  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        2.958  -0.204  -1.319  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        2.968   1.127  -0.901  0.00  0.00    +0.047 A 
BRANCH  24  29
ATOM     29  C   LIG    1        1.031   0.903   2.285  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1        0.484   1.194   3.267  0.00  0.00    -0.191 NA
ENDBRANCH  24  29
BRANCH  23  31
ATOM     31  O   LIG    1        2.327   2.776   0.791  0.00  0.00    -0.491 OA
BRANCH  31  33
ATOM     32  C   LIG    1        1.417   4.219  -0.939  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1        2.611   3.877  -0.068  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  23  31
ENDBRANCH   1  25
TORSDOF 7