REMARK Name = BDB065055 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 1.991 -2.280 1.852 0.00 0.00 -0.288 N ATOM 2 C LIG 1 2.781 -1.105 1.979 0.00 0.00 +0.148 A ATOM 3 C LIG 1 3.306 -0.790 3.223 0.00 0.00 +0.036 A ATOM 4 C LIG 1 4.071 0.356 3.277 0.00 0.00 +0.124 A ATOM 5 N LIG 1 4.308 1.146 2.214 0.00 0.00 -0.235 NA ATOM 6 C LIG 1 3.751 0.760 1.056 0.00 0.00 +0.163 A ATOM 7 C LIG 1 3.055 -1.627 4.384 0.00 0.00 +0.018 A ATOM 8 C LIG 1 2.300 -2.720 4.242 0.00 0.00 +0.071 A ATOM 9 N LIG 1 2.999 -0.342 0.889 0.00 0.00 -0.209 NA ATOM 10 C LIG 1 1.715 -3.101 2.931 0.00 0.00 +0.253 A ATOM 11 O LIG 1 1.024 -4.116 2.879 0.00 0.00 -0.268 OA ENDROOT BRANCH 6 12 ATOM 12 C LIG 1 3.953 1.627 -0.111 0.00 0.00 +0.031 A ATOM 13 C LIG 1 5.229 2.087 -0.510 0.00 0.00 +0.065 A ATOM 14 C LIG 1 5.339 2.951 -1.621 0.00 0.00 +0.013 A ATOM 15 C LIG 1 4.212 3.342 -2.342 0.00 0.00 +0.001 A ATOM 16 C LIG 1 2.957 2.882 -1.965 0.00 0.00 +0.001 A ATOM 17 C LIG 1 2.830 2.036 -0.862 0.00 0.00 +0.012 A BRANCH 13 18 ATOM 18 C LIG 1 6.488 1.678 0.223 0.00 0.00 +0.418 C ATOM 19 F LIG 1 6.705 2.389 1.363 0.00 0.00 -0.166 F ATOM 20 F LIG 1 7.613 1.866 -0.531 0.00 0.00 -0.166 F ATOM 21 F LIG 1 6.522 0.360 0.568 0.00 0.00 -0.166 F ENDBRANCH 13 18 ENDBRANCH 6 12 BRANCH 1 22 ATOM 22 C LIG 1 1.448 -2.620 0.542 0.00 0.00 +0.162 C BRANCH 22 26 ATOM 23 C LIG 1 -2.106 -0.369 -0.504 0.00 0.00 +0.017 A ATOM 24 C LIG 1 -0.920 -0.205 -1.227 0.00 0.00 +0.012 A ATOM 25 C LIG 1 0.222 -0.937 -0.893 0.00 0.00 +0.006 A ATOM 26 C LIG 1 0.204 -1.835 0.182 0.00 0.00 -0.028 A ATOM 27 C LIG 1 -0.982 -1.990 0.914 0.00 0.00 +0.006 A ATOM 28 C LIG 1 -2.123 -1.256 0.580 0.00 0.00 +0.012 A BRANCH 23 30 ATOM 29 N LIG 1 -4.521 -0.093 -1.223 0.00 0.00 -0.327 N ATOM 30 C LIG 1 -3.286 0.415 -0.869 0.00 0.00 +0.142 A ATOM 31 N LIG 1 -3.303 1.734 -0.944 0.00 0.00 -0.224 NA ATOM 32 C LIG 1 -4.592 2.107 -1.288 0.00 0.00 +0.162 A ATOM 33 C LIG 1 -5.359 0.970 -1.455 0.00 0.00 +0.120 A BRANCH 32 34 ATOM 34 C LIG 1 -5.000 3.544 -1.440 0.00 0.00 +0.436 C ATOM 35 F LIG 1 -4.956 4.221 -0.262 0.00 0.00 -0.164 F ATOM 36 F LIG 1 -4.212 4.219 -2.318 0.00 0.00 -0.164 F ATOM 37 F LIG 1 -6.276 3.661 -1.902 0.00 0.00 -0.164 F ENDBRANCH 32 34 BRANCH 29 39 ATOM 38 C LIG 1 -5.396 -1.797 -2.798 0.00 0.00 +0.030 C ATOM 39 C LIG 1 -4.889 -1.499 -1.385 0.00 0.00 +0.083 C ATOM 40 C LIG 1 -5.907 -1.931 -0.329 0.00 0.00 +0.030 C ENDBRANCH 29 39 ENDBRANCH 23 30 ENDBRANCH 22 26 ENDBRANCH 1 22 TORSDOF 7