REMARK  Name = BDB021340
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.510  -1.386   2.613  0.00  0.00    +0.159 A 
ATOM      2  N   LIG    1        2.475  -1.005   1.714  0.00  0.00    -0.217 NA
ATOM      3  C   LIG    1        1.838  -0.298   0.798  0.00  0.00    +0.151 A 
ATOM      4  N   LIG    1        0.491  -0.198   1.087  0.00  0.00    -0.270 N 
ATOM      5  C   LIG    1       -0.419   0.510   0.275  0.00  0.00    +0.202 A 
ATOM      6  N   LIG    1        0.013   1.086  -0.814  0.00  0.00    -0.223 NA
ATOM      7  C   LIG    1        1.353   0.984  -1.120  0.00  0.00    +0.126 A 
ATOM      8  C   LIG    1        2.293   0.350  -0.387  0.00  0.00    +0.043 A 
ATOM      9  C   LIG    1        0.273  -0.906   2.248  0.00  0.00    +0.134 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1        3.693   0.331  -0.867  0.00  0.00    -0.013 A 
ATOM     11  C   LIG    1        4.377  -0.889  -0.987  0.00  0.00    +0.009 A 
ATOM     12  C   LIG    1        5.701  -0.925  -1.434  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        6.360   0.266  -1.745  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1        5.692   1.490  -1.638  0.00  0.00    +0.015 A 
ATOM     15  C   LIG    1        4.367   1.520  -1.195  0.00  0.00    +0.009 A 
BRANCH  13  16
ATOM     16  C   LIG    1        7.761   0.198  -2.215  0.00  0.00    +0.337 C 
ATOM     17  O   LIG    1        8.157  -0.623  -3.021  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1        8.553   1.119  -1.624  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1        8.138   1.584  -0.873  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  N   LIG    1        2.039  -2.833   4.697  0.00  0.00    -0.189 NA
ATOM     21  C   LIG    1        1.823  -2.186   3.758  0.00  0.00    +0.121 C 
ENDBRANCH   1  21
BRANCH   5  22
ATOM     22  N   LIG    1       -1.742   0.567   0.658  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -1.947   0.436   1.642  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.673   1.469   0.002  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -4.072   1.145   0.441  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -4.743   0.008   0.003  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.285  -1.092  -0.880  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -5.626  -1.781  -1.132  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -6.536  -1.450  -0.058  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -6.025  -0.285   0.453  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -6.694   0.523   1.349  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.043   1.672   1.798  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -4.751   1.971   1.346  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.150   3.074   1.816  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 7