REMARK  Name = BDB007562
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.602  -2.826   0.895  0.00  0.00    +0.137 C 
ENDROOT
BRANCH   1   4
ATOM      2  O   LIG    1        2.153  -0.594   1.585  0.00  0.00    -0.270 OA
ATOM      3  C   LIG    1        2.288  -1.083   0.470  0.00  0.00    +0.244 C 
ATOM      4  N   LIG    1        1.549  -2.157   0.021  0.00  0.00    -0.309 N 
ATOM      5  H   LIG    1        1.858  -2.657  -0.803  0.00  0.00    +0.149 HD
BRANCH   3   6
ATOM      6  C   LIG    1        3.304  -0.537  -0.469  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        4.432   0.096   0.064  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1        5.415   0.629  -0.759  0.00  0.00    +0.090 A 
ATOM      9  C   LIG    1        5.264   0.540  -2.166  0.00  0.00    +0.089 A 
ATOM     10  N   LIG    1        6.189   1.042  -3.006  0.00  0.00    -0.252 NA
ATOM     11  C   LIG    1        7.261   1.631  -2.434  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1        7.410   1.718  -1.065  0.00  0.00    +0.131 A 
ATOM     13  C   LIG    1        4.132  -0.074  -2.687  0.00  0.00    +0.030 A 
ATOM     14  N   LIG    1        6.494   1.219  -0.208  0.00  0.00    -0.252 NA
ATOM     15  C   LIG    1        3.148  -0.612  -1.854  0.00  0.00    +0.015 A 
ENDBRANCH   3   6
ENDBRANCH   1   4
BRANCH   1  16
ATOM     16  C   LIG    1       -0.665  -2.003   1.209  0.00  0.00    +0.145 C 
BRANCH  16  17
ATOM     17  O   LIG    1       -1.396  -2.694   2.232  0.00  0.00    -0.389 OA
ATOM     18  H   LIG    1       -0.919  -2.535   3.066  0.00  0.00    +0.210 HD
ENDBRANCH  16  17
BRANCH  16  19
ATOM     19  C   LIG    1       -1.542  -1.845  -0.059  0.00  0.00    +0.117 C 
BRANCH  19  20
ATOM     20  N   LIG    1       -2.692  -0.921  -0.021  0.00  0.00    -0.295 NA
ATOM     21  C   LIG    1       -2.287   0.484   0.141  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1       -3.463   1.440   0.195  0.00  0.00    -0.030 A 
ATOM     23  C   LIG    1       -4.749   0.981   0.532  0.00  0.00    -0.042 A 
ATOM     24  C   LIG    1       -5.815   1.887   0.607  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -5.601   3.246   0.376  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -4.324   3.707   0.062  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -4.989  -0.493   0.747  0.00  0.00    +0.051 C 
ATOM     28  C   LIG    1       -3.259   2.810  -0.025  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -3.690  -1.275   0.994  0.00  0.00    +0.089 C 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 6