REMARK  Name = BDB014470
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.229   1.171  -2.742  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.742   0.537  -2.333  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.643  -0.710  -1.753  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.462  -1.021  -1.238  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.648  -1.277  -1.401  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.253  -0.600  -0.157  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.347  -0.743   0.954  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.206  -1.694   1.102  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.623  -1.199   0.236  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.648  -1.210  -0.821  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.885  -1.877  -0.366  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -5.767  -1.042   0.538  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.681   0.363   0.536  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.533   1.113   1.358  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.480   0.477   2.159  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -7.581  -0.912   2.149  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.634   1.059  -0.298  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.732  -1.669   1.340  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.992   0.128  -1.337  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        2.171   1.073  -2.446  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.145   0.317  -1.732  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.481   0.765  -0.479  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1        4.797   0.499  -0.052  0.00  0.00    -0.003 A 
ATOM     24  C   LIG    1        5.769  -0.188  -0.988  0.00  0.00    +0.039 C 
ATOM     25  C   LIG    1        7.027  -0.709  -0.298  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1        7.607   0.352   0.626  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        6.612   0.685   1.733  0.00  0.00    +0.035 C 
ATOM     28  C   LIG    1        5.214   0.938   1.222  0.00  0.00    -0.041 A 
ATOM     29  C   LIG    1        4.296   1.578   2.067  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        2.987   1.802   1.650  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        2.579   1.396   0.381  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 8