REMARK  Name = BDB045211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.246   1.669  -1.691  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1        0.773   0.729  -1.458  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.252  -0.079  -2.498  0.00  0.00    +0.037 A 
ATOM      4  C   LIG    1        0.693   0.040  -3.776  0.00  0.00    +0.013 A 
ATOM      5  C   LIG    1       -0.321   0.966  -4.016  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.787   1.775  -2.980  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        2.322  -1.095  -2.286  0.00  0.00    +0.245 C 
ATOM      8  N   LIG    1        3.187  -0.868  -1.239  0.00  0.00    -0.305 N 
ATOM      9  H   LIG    1        3.180   0.028  -0.772  0.00  0.00    +0.150 HD
ATOM     10  O   LIG    1        2.413  -2.059  -3.039  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.300  -1.758  -0.952  0.00  0.00    +0.100 C 
ATOM     12  C   LIG    1        3.824  -3.063  -0.306  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  C   LIG    1        5.318  -1.037  -0.086  0.00  0.00    -0.027 A 
ATOM     14  C   LIG    1        6.571  -0.694  -0.618  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        7.513  -0.015   0.157  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        7.213   0.337   1.471  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.971   0.013   2.011  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.028  -0.667   1.238  0.00  0.00    +0.005 A 
ENDBRANCH  11  13
ENDBRANCH   8  11
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  C   LIG    1       -0.786   2.521  -0.557  0.00  0.00    +0.151 C 
BRANCH  19  26
ATOM     20  C   LIG    1       -3.718  -0.007   1.211  0.00  0.00    +0.042 C 
ATOM     21  N   LIG    1       -4.086   1.133   0.381  0.00  0.00    -0.311 N 
ATOM     22  H   LIG    1       -4.954   1.031  -0.130  0.00  0.00    +0.149 HD
ATOM     23  C   LIG    1       -3.146   1.916  -0.211  0.00  0.00    +0.182 C 
ATOM     24  N   LIG    1       -3.478   2.726  -1.156  0.00  0.00    -0.272 NA
ATOM     25  H   LIG    1       -4.486   2.675  -1.312  0.00  0.00    +0.189 HD
ATOM     26  N   LIG    1       -1.830   1.832   0.198  0.00  0.00    -0.240 N 
ATOM     27  C   LIG    1       -1.438   1.058   1.283  0.00  0.00    +0.224 C 
ATOM     28  O   LIG    1       -0.266   0.914   1.641  0.00  0.00    -0.275 OA
ATOM     29  C   LIG    1       -2.549   0.437   2.095  0.00  0.00    +0.122 C 
ATOM     30  C   LIG    1       -3.274  -1.171   0.296  0.00  0.00    +0.032 C 
BRANCH  20  32
ATOM     31  C   LIG    1       -6.105  -1.055   1.294  0.00  0.00    +0.009 C 
ATOM     32  C   LIG    1       -4.944  -0.442   2.094  0.00  0.00    +0.006 C 
ATOM     33  C   LIG    1       -5.510   0.687   2.972  0.00  0.00    +0.009 C 
ENDBRANCH  20  32
ENDBRANCH  19  26
ENDBRANCH   1  19
TORSDOF 6