REMARK  Name = BDB014466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.770  -0.226  -2.027  0.00  0.00    -0.275 OA
ATOM      2  C   LIG    1        1.620   0.512  -1.537  0.00  0.00    +0.217 C 
ATOM      3  N   LIG    1        1.468   1.149  -0.322  0.00  0.00    -0.313 N 
ATOM      4  H   LIG    1        2.347   1.427   0.120  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.362   0.807   0.566  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -0.968   1.411   0.087  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.813   2.840  -0.003  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.002   2.969  -0.531  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.132   1.109   1.055  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -2.342  -0.316   1.370  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -2.776  -1.113   0.205  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.226  -0.931  -0.189  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -5.178  -0.482   0.745  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -6.522  -0.363   0.366  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -6.923  -0.707  -0.924  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -5.986  -1.167  -1.846  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -4.745  -0.065   2.129  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -4.645  -1.282  -1.480  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -3.311  -0.502   2.464  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        2.936   0.815  -2.231  0.00  0.00    +0.133 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.069  -0.050  -1.723  0.00  0.00    -0.013 A 
ATOM     22  C   LIG    1        4.691   0.250  -0.504  0.00  0.00    +0.075 A 
ATOM     23  C   LIG    1        5.744  -0.588  -0.070  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        6.376  -0.290   1.143  0.00  0.00    +0.011 A 
ATOM     25  C   LIG    1        5.966   0.806   1.890  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        4.927   1.568   1.397  0.00  0.00    +0.111 A 
ATOM     27  C   LIG    1        6.141  -1.694  -0.839  0.00  0.00    +0.010 A 
ATOM     28  C   LIG    1        5.500  -1.984  -2.039  0.00  0.00    +0.001 A 
ATOM     29  N   LIG    1        4.285   1.309   0.234  0.00  0.00    -0.255 NA
ATOM     30  C   LIG    1        4.466  -1.168  -2.479  0.00  0.00    +0.006 A 
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 7