REMARK  Name = BDB001250
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.417   2.099  -1.102  0.00  0.00    +0.000 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.481   2.068   0.112  0.00  0.00    +0.004 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.217   0.684   0.715  0.00  0.00    +0.027 C 
BRANCH   3   5
ATOM      4  C   LIG    1       -1.695  -0.593  -0.391  0.00  0.00    -0.031 C 
ATOM      5  C   LIG    1       -0.395  -0.282  -0.259  0.00  0.00    -0.031 C 
BRANCH   4   6
ATOM      6  C   LIG    1       -2.853  -0.028   0.384  0.00  0.00    +0.027 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -3.812   0.727  -0.541  0.00  0.00    +0.004 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.959   1.419   0.203  0.00  0.00    +0.000 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -5.858   0.510   1.049  0.00  0.00    +0.000 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -6.583  -0.560   0.233  0.00  0.00    -0.000 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -7.436  -1.520   1.072  0.00  0.00    -0.000 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -8.308  -0.554   3.264  0.00  0.00    +0.004 C 
ATOM     13  C   LIG    1       -8.610  -0.863   1.804  0.00  0.00    -0.003 C 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   6   7
ENDBRANCH   4   6
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1        2.827   1.586  -0.796  0.00  0.00    +0.000 C 
BRANCH  14  15
ATOM     15  C   LIG    1        3.747   1.745  -2.010  0.00  0.00    +0.000 C 
BRANCH  15  16
ATOM     16  C   LIG    1        5.197   1.344  -1.729  0.00  0.00    +0.009 C 
BRANCH  16  17
ATOM     17  C   LIG    1        5.370  -0.145  -1.433  0.00  0.00    +0.096 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.829  -0.536  -1.289  0.00  0.00    +0.213 C 
ATOM     19  N   LIG    1        7.000  -1.884  -1.054  0.00  0.00    -0.313 N 
ATOM     20  H   LIG    1        6.198  -2.499  -1.112  0.00  0.00    +0.149 HD
ATOM     21  O   LIG    1        7.760   0.258  -1.355  0.00  0.00    -0.276 OA
BRANCH  19  22
ATOM     22  C   LIG    1        8.318  -2.484  -0.968  0.00  0.00    +0.132 C 
BRANCH  22  23
ATOM     23  C   LIG    1        9.092  -2.079   0.286  0.00  0.00    +0.174 C 
BRANCH  23  24
ATOM     24  O   LIG    1       10.246  -2.903   0.424  0.00  0.00    -0.393 OA
ATOM     25  H   LIG    1       10.761  -2.538   1.164  0.00  0.00    +0.209 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 18