REMARK  Name = BDB007640
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.076   1.387   0.818  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        2.066   0.293   0.268  0.00  0.00    +0.263 C 
ATOM      3  N   LIG    1        0.941  -0.498   0.138  0.00  0.00    -0.308 N 
ATOM      4  H   LIG    1        1.125  -1.456  -0.154  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        3.312  -0.303  -0.308  0.00  0.00    +0.130 A 
ATOM      6  N   LIG    1        3.195  -1.558  -0.806  0.00  0.00    -0.231 NA
ATOM      7  C   LIG    1        4.325  -2.056  -1.313  0.00  0.00    +0.224 A 
ATOM      8  N   LIG    1        5.513  -1.436  -1.352  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1        5.578  -0.198  -0.835  0.00  0.00    +0.123 A 
ATOM     10  C   LIG    1        4.480   0.426  -0.296  0.00  0.00    +0.076 A 
BRANCH   9  11
ATOM     11  N   LIG    1        6.830   0.423  -0.907  0.00  0.00    -0.322 N 
ATOM     12  H   LIG    1        7.493  -0.279  -1.239  0.00  0.00    +0.148 HD
BRANCH  11  13
ATOM     13  C   LIG    1        7.367   1.327   0.075  0.00  0.00    +0.123 C 
ATOM     14  C   LIG    1        7.973   0.619   1.296  0.00  0.00    +0.184 C 
ATOM     15  O   LIG    1        9.319   0.826   0.799  0.00  0.00    -0.376 OA
ATOM     16  C   LIG    1        8.820   1.729  -0.219  0.00  0.00    +0.184 C 
ENDBRANCH  11  13
ENDBRANCH   9  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  C   LIG    1       -0.291  -0.191   0.850  0.00  0.00    +0.137 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -1.497  -0.875   0.186  0.00  0.00    +0.145 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -1.601  -0.389  -1.161  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1       -0.689  -0.283  -1.487  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1       -2.792  -0.574   0.978  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.882  -1.546   0.737  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -4.499  -1.409  -0.598  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1       -5.433  -0.227  -0.755  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1       -6.058   0.353   0.364  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1       -6.952   1.418   0.188  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.241   1.891  -1.092  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.635   1.310  -2.203  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.713  -0.120   1.754  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1       -5.737   0.254  -2.037  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1       -4.943  -1.449   1.756  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   3  17
TORSDOF 8