REMARK  Name = BDB002148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.855   2.164  -0.770  0.00  0.00    +0.099 A 
ATOM      2  C   LIG    1        0.815   0.866  -0.214  0.00  0.00    +0.008 A 
ATOM      3  C   LIG    1       -0.431   0.321   0.226  0.00  0.00    -0.017 A 
ATOM      4  C   LIG    1       -0.436  -1.074   0.830  0.00  0.00    +0.037 C 
ATOM      5  C   LIG    1       -1.682  -1.963   0.826  0.00  0.00    +0.005 C 
ATOM      6  C   LIG    1       -2.393  -2.063  -0.523  0.00  0.00    +0.000 C 
ATOM      7  C   LIG    1       -3.768  -1.401  -0.510  0.00  0.00    +0.000 C 
ATOM      8  C   LIG    1       -3.760   0.127  -0.538  0.00  0.00    +0.006 C 
ATOM      9  C   LIG    1       -2.946   0.803   0.566  0.00  0.00    +0.056 C 
ATOM     10  C   LIG    1       -1.550   1.153   0.120  0.00  0.00    +0.047 A 
ATOM     11  N   LIG    1       -1.487   2.397  -0.429  0.00  0.00    -0.236 NA
ATOM     12  C   LIG    1       -0.323   2.893  -0.868  0.00  0.00    +0.135 A 
ENDROOT
BRANCH   2  13
ATOM     13  C   LIG    1        2.073   0.100  -0.087  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1        2.553  -0.672  -1.156  0.00  0.00    +0.054 A 
ATOM     15  C   LIG    1        3.744  -1.380  -1.029  0.00  0.00    +0.117 A 
ATOM     16  C   LIG    1        4.480  -1.337   0.150  0.00  0.00    +0.045 A 
ATOM     17  C   LIG    1        4.014  -0.574   1.220  0.00  0.00    +0.004 A 
ATOM     18  C   LIG    1        2.819   0.141   1.103  0.00  0.00    +0.009 A 
BRANCH  15  19
ATOM     19  O   LIG    1        4.160  -2.115  -2.099  0.00  0.00    -0.507 OA
ATOM     20  H   LIG    1        5.025  -2.505  -1.892  0.00  0.00    +0.292 HD
ENDBRANCH  15  19
ENDBRANCH   2  13
BRANCH  12  21
ATOM     21  N   LIG    1       -0.385   4.181  -1.412  0.00  0.00    -0.342 N 
ATOM     22  H   LIG    1       -0.064   4.182  -2.376  0.00  0.00    +0.144 HD
ATOM     23  H   LIG    1        0.205   4.823  -0.889  0.00  0.00    +0.144 HD
ENDBRANCH  12  21
BRANCH   1  25
ATOM     24  N   LIG    1        3.055   3.263  -1.597  0.00  0.00    -0.191 NA
ATOM     25  C   LIG    1        2.083   2.747  -1.223  0.00  0.00    +0.103 C 
ENDBRANCH   1  25
TORSDOF 4