REMARK  Name = BDB024453
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.198   1.414  -0.242  0.00  0.00    +0.145 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1       -1.323   0.254   0.588  0.00  0.00    -0.389 OA
ATOM      3  H   LIG    1       -0.429  -0.148   0.654  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1       -0.235   1.170  -1.421  0.00  0.00    +0.137 C 
BRANCH   4   7
ATOM      5  O   LIG    1        1.250  -0.510   0.380  0.00  0.00    -0.269 OA
ATOM      6  C   LIG    1        1.821   0.387  -0.231  0.00  0.00    +0.263 C 
ATOM      7  N   LIG    1        1.171   1.280  -1.052  0.00  0.00    -0.308 N 
ATOM      8  H   LIG    1        1.766   1.935  -1.554  0.00  0.00    +0.149 HD
BRANCH   6   9
ATOM      9  C   LIG    1        3.300   0.591  -0.130  0.00  0.00    +0.130 A 
ATOM     10  N   LIG    1        3.819   1.583  -0.892  0.00  0.00    -0.231 NA
ATOM     11  C   LIG    1        5.140   1.734  -0.775  0.00  0.00    +0.224 A 
ATOM     12  N   LIG    1        5.952   1.002  -0.001  0.00  0.00    -0.221 NA
ATOM     13  C   LIG    1        5.394   0.018   0.725  0.00  0.00    +0.123 A 
ATOM     14  C   LIG    1        4.039  -0.221   0.702  0.00  0.00    +0.076 A 
BRANCH  13  15
ATOM     15  N   LIG    1        6.203  -0.761   1.583  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        5.957  -1.742   1.481  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        7.622  -0.558   1.675  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1        8.416  -1.193   0.509  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        9.452  -1.641   1.562  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1        8.310  -1.591   2.599  0.00  0.00    +0.022 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   6   9
ENDBRANCH   4   7
ENDBRANCH   1   4
BRANCH   1  21
ATOM     21  C   LIG    1       -2.598   1.880  -0.720  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.166   1.117  -1.854  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1       -3.686  -0.216  -1.435  0.00  0.00    +0.122 C 
ATOM     24  C   LIG    1       -5.038  -0.108  -0.796  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1       -5.866   0.983  -0.968  0.00  0.00    +0.023 A 
ATOM     26  N   LIG    1       -7.025   0.772  -0.282  0.00  0.00    -0.358 N 
ATOM     27  H   LIG    1       -7.805   1.410  -0.224  0.00  0.00    +0.166 HD
ATOM     28  C   LIG    1       -6.973  -0.458   0.341  0.00  0.00    +0.047 A 
ATOM     29  C   LIG    1       -7.923  -1.099   1.146  0.00  0.00    +0.026 A 
ATOM     30  C   LIG    1       -7.595  -2.359   1.658  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -6.366  -2.952   1.375  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -5.427  -2.300   0.568  0.00  0.00    +0.010 A 
ATOM     33  C   LIG    1       -5.502   2.195  -1.743  0.00  0.00    +0.069 C 
ATOM     34  C   LIG    1       -5.732  -1.030   0.038  0.00  0.00    +0.004 A 
ATOM     35  C   LIG    1       -4.220   1.892  -2.563  0.00  0.00    +0.091 C 
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 8