REMARK  Name = BDB031086
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.150   0.158   0.583  0.00  0.00    +0.005 A 
ATOM      2  C   LIG    1       -3.559   0.774   1.884  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -2.704   1.574   2.566  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -1.417   1.880   2.061  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.085   1.360   0.821  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1        0.180   1.832   0.517  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1        0.563   2.540   1.641  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1       -0.436   2.586   2.577  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -1.927   0.503   0.111  0.00  0.00    +0.100 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.916   1.574  -0.705  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        2.131   1.015  -0.510  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        2.887   0.740  -1.589  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.451   1.037  -2.879  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        1.202   1.623  -3.066  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        0.415   1.901  -1.957  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1        4.165   0.175  -1.440  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        4.218  -0.660  -2.025  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        4.531  -0.178  -0.050  0.00  0.00    +0.120 C 
ATOM     19  C   LIG    1        6.024  -0.503   0.028  0.00  0.00    +0.201 C 
ATOM     20  F   LIG    1        6.463  -0.272   1.300  0.00  0.00    -0.242 F 
ATOM     21  C   LIG    1        6.118  -2.006  -0.248  0.00  0.00    +0.119 C 
ATOM     22  N   LIG    1        4.739  -2.517  -0.355  0.00  0.00    -0.311 NA
ATOM     23  H   LIG    1        4.662  -3.426   0.102  0.00  0.00    +0.122 HD
ATOM     24  C   LIG    1        3.918  -1.523   0.364  0.00  0.00    +0.106 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   6  10
BRANCH   1  26
ATOM     25  C   LIG    1       -3.715  -0.970  -1.680  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -4.049  -0.833  -0.180  0.00  0.00    +0.087 C 
ATOM     27  C   LIG    1       -3.976  -2.227   0.459  0.00  0.00    +0.046 C 
BRANCH  26  28
ATOM     28  O   LIG    1       -5.403  -0.368  -0.141  0.00  0.00    -0.384 OA
ATOM     29  H   LIG    1       -5.959  -1.045  -0.568  0.00  0.00    +0.211 HD
ENDBRANCH  26  28
ENDBRANCH   1  26
BRANCH   2  30
ATOM     30  C   LIG    1       -4.923   0.537   2.492  0.00  0.00    +0.191 C 
BRANCH  30  31
ATOM     31  O   LIG    1       -5.905   1.282   1.787  0.00  0.00    -0.390 OA
ATOM     32  H   LIG    1       -5.878   0.921   0.875  0.00  0.00    +0.210 HD
ENDBRANCH  30  31
ENDBRANCH   2  30
TORSDOF 7