REMARK  Name = BDB014441
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.185   1.085   2.212  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1        0.134   0.224   2.055  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.235  -0.085   2.947  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.565   1.310   3.363  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1        1.851   1.714   0.981  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1        3.243   1.967   1.137  0.00  0.00    -0.483 OA
BRANCH   6  10
ATOM      7  C   LIG    1        6.152  -1.052   0.610  0.00  0.00    +0.029 A 
ATOM      8  C   LIG    1        6.453   0.297   0.858  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1        5.454   1.267   1.026  0.00  0.00    +0.047 A 
ATOM     10  C   LIG    1        4.108   0.926   0.963  0.00  0.00    +0.121 A 
ATOM     11  C   LIG    1        3.774  -0.404   0.744  0.00  0.00    +0.047 A 
ATOM     12  C   LIG    1        4.782  -1.370   0.576  0.00  0.00    +0.026 A 
BRANCH   7  14
ATOM     13  C   LIG    1        8.534  -1.604   0.287  0.00  0.00    +0.129 C 
ATOM     14  N   LIG    1        7.145  -2.026   0.455  0.00  0.00    -0.336 N 
ATOM     15  C   LIG    1        6.791  -3.299  -0.170  0.00  0.00    +0.129 C 
ENDBRANCH   7  14
ENDBRANCH   6  10
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  16
ATOM     16  C   LIG    1       -0.621  -0.092   0.850  0.00  0.00    +0.136 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.643   0.996   0.484  0.00  0.00    +0.145 C 
BRANCH  17  18
ATOM     18  O   LIG    1       -0.962   2.128  -0.071  0.00  0.00    -0.389 OA
ATOM     19  H   LIG    1       -1.647   2.602  -0.590  0.00  0.00    +0.210 HD
ENDBRANCH  17  18
BRANCH  17  20
ATOM     20  C   LIG    1       -2.655   0.473  -0.560  0.00  0.00    +0.117 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.521   1.555  -1.083  0.00  0.00    -0.295 NA
ATOM     22  C   LIG    1       -4.300   1.089  -2.251  0.00  0.00    +0.120 C 
ATOM     23  C   LIG    1       -5.472   0.191  -1.915  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1       -6.074   0.234  -0.644  0.00  0.00    -0.042 A 
ATOM     25  C   LIG    1       -7.181  -0.580  -0.370  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -7.702  -1.416  -1.358  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.120  -1.447  -2.623  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.496   1.106   0.443  0.00  0.00    +0.051 C 
ATOM     29  C   LIG    1       -6.013  -0.645  -2.902  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -4.460   2.109  -0.088  0.00  0.00    +0.089 C 
ENDBRANCH  20  21
ENDBRANCH  17  20
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 9