REMARK  Name = BDB021449
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.878  -0.775  -1.098  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1        2.891  -1.297  -0.256  0.00  0.00    +0.051 A 
ATOM      3  C   LIG    1        1.659  -0.641  -0.041  0.00  0.00    +0.133 A 
ATOM      4  O   LIG    1        0.884  -1.361   0.821  0.00  0.00    -0.490 OA
ATOM      5  C   LIG    1       -0.127  -0.659   1.522  0.00  0.00    +0.248 C 
ATOM      6  C   LIG    1       -1.246  -0.292   0.575  0.00  0.00    +0.149 C 
ATOM      7  N   LIG    1       -1.028   1.027   0.005  0.00  0.00    -0.292 N 
ATOM      8  C   LIG    1        0.128   1.392  -0.681  0.00  0.00    +0.250 C 
ATOM      9  O   LIG    1        0.124   2.447  -1.325  0.00  0.00    -0.270 OA
ATOM     10  C   LIG    1        1.381   0.559  -0.707  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1        2.393   1.077  -1.552  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        3.617   0.429  -1.744  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  13
ATOM     13  C   LIG    1        5.191  -1.497  -1.302  0.00  0.00    +0.119 C 
BRANCH  13  17
ATOM     14  C   LIG    1        8.211   0.992   1.597  0.00  0.00    +0.042 C 
ATOM     15  C   LIG    1        7.878  -0.348   0.954  0.00  0.00    +0.077 C 
ATOM     16  C   LIG    1        6.381  -0.508   0.603  0.00  0.00    +0.119 C 
ATOM     17  N   LIG    1        6.343  -0.711  -0.856  0.00  0.00    -0.295 NA
ATOM     18  C   LIG    1        7.613  -1.359  -1.191  0.00  0.00    +0.087 C 
ATOM     19  C   LIG    1        8.605  -0.548  -0.376  0.00  0.00    +0.051 C 
BRANCH  15  20
ATOM     20  O   LIG    1        8.288  -1.398   1.840  0.00  0.00    -0.388 OA
ATOM     21  H   LIG    1        7.830  -1.264   2.688  0.00  0.00    +0.210 HD
ENDBRANCH  15  20
ENDBRANCH  13  17
ENDBRANCH   1  13
BRANCH   7  22
ATOM     22  C   LIG    1       -2.217   1.893  -0.123  0.00  0.00    +0.140 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -2.937   1.709  -1.478  0.00  0.00    +0.146 C 
BRANCH  23  24
ATOM     24  O   LIG    1       -2.331   2.526  -2.492  0.00  0.00    -0.389 OA
ATOM     25  H   LIG    1       -1.373   2.590  -2.277  0.00  0.00    +0.210 HD
ENDBRANCH  23  24
BRANCH  23  26
ATOM     26  C   LIG    1       -4.428   2.102  -1.392  0.00  0.00    +0.117 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -5.226   1.302  -0.441  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1       -5.387  -0.088  -0.914  0.00  0.00    +0.120 C 
ATOM     29  C   LIG    1       -6.341  -0.911  -0.073  0.00  0.00    -0.030 A 
ATOM     30  C   LIG    1       -7.295  -0.291   0.753  0.00  0.00    -0.042 A 
ATOM     31  C   LIG    1       -8.184  -1.074   1.501  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -8.146  -2.465   1.409  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -7.217  -3.083   0.575  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -7.316   1.210   0.878  0.00  0.00    +0.051 C 
ATOM     35  C   LIG    1       -6.321  -2.311  -0.165  0.00  0.00    +0.005 A 
ATOM     36  C   LIG    1       -6.557   1.907  -0.258  0.00  0.00    +0.089 C 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   7  22
TORSDOF 8