REMARK  Name = BDB008582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.922   0.819  -1.135  0.00  0.00    +0.104 C 
ATOM      2  C   LIG    1       -0.740   0.058  -2.456  0.00  0.00    +0.033 C 
ENDROOT
BRANCH   1   8
ATOM      3  N   LIG    1        3.636  -0.635   0.656  0.00  0.00    -0.347 N 
ATOM      4  C   LIG    1        2.462   0.086   0.553  0.00  0.00    +0.049 A 
ATOM      5  C   LIG    1        2.487   1.043   1.569  0.00  0.00    -0.000 A 
ATOM      6  C   LIG    1        1.404   1.931   1.694  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1        0.328   1.832   0.804  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1        0.299   0.865  -0.214  0.00  0.00    -0.025 A 
ATOM      9  C   LIG    1        3.700   0.871   2.287  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        1.385  -0.019  -0.346  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        4.385  -0.172   1.708  0.00  0.00    +0.087 A 
BRANCH   3  12
ATOM     12  C   LIG    1        4.030  -1.743  -0.200  0.00  0.00    +0.124 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.616  -1.299  -1.541  0.00  0.00    +0.049 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.980  -0.623  -1.409  0.00  0.00    +0.161 C 
BRANCH  14  16
ATOM     15  C   LIG    1        7.556  -2.391  -1.611  0.00  0.00    +0.193 C 
ATOM     16  O   LIG    1        6.921  -1.462  -0.742  0.00  0.00    -0.383 OA
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   3  12
ENDBRANCH   1   8
BRANCH   1  17
ATOM     17  N   LIG    1       -2.162   0.393  -0.443  0.00  0.00    -0.289 N 
ATOM     18  C   LIG    1       -3.351   1.044  -0.812  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -3.383   1.829  -1.766  0.00  0.00    -0.273 OA
BRANCH  18  20
ATOM     20  C   LIG    1       -4.606   0.802   0.054  0.00  0.00    +0.217 C 
ATOM     21  O   LIG    1       -5.807   1.073  -0.694  0.00  0.00    -0.365 OA
ATOM     22  C   LIG    1       -6.965   0.896   0.130  0.00  0.00    +0.176 C 
ATOM     23  C   LIG    1       -6.925   1.825   1.351  0.00  0.00    +0.109 C 
ATOM     24  N   LIG    1       -5.711   1.613   2.159  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -5.665   2.331   2.882  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -4.530   1.738   1.280  0.00  0.00    +0.122 C 
ENDBRANCH  18  20
BRANCH  17  27
ATOM     27  C   LIG    1       -2.088  -0.610   0.601  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1       -2.812  -1.931   0.480  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -1.321  -1.904   0.471  0.00  0.00    +0.024 C 
ENDBRANCH  17  27
ENDBRANCH   1  17
TORSDOF 8