REMARK Name = BDB025959 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.663 1.352 0.079 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.017 0.104 -0.083 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.368 -0.006 0.079 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.154 1.117 0.399 0.00 0.00 +0.022 A ATOM 5 C LIG 1 0.488 2.344 0.557 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.181 3.454 0.856 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.892 2.468 0.404 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -5.031 4.346 -1.591 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.557 3.424 -0.458 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.707 2.774 0.222 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.508 3.723 0.997 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.287 1.626 1.073 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -5.907 0.354 0.479 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.753 1.465 1.244 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.070 1.404 -0.067 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.562 2.388 -1.062 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.611 1.003 0.558 0.00 0.00 +0.021 A ATOM 18 C LIG 1 3.414 0.249 -0.272 0.00 0.00 +0.124 A ATOM 19 N LIG 1 4.756 0.128 -0.150 0.00 0.00 -0.222 NA ATOM 20 C LIG 1 5.364 0.783 0.852 0.00 0.00 +0.218 A ATOM 21 N LIG 1 4.670 1.541 1.716 0.00 0.00 -0.222 NA ATOM 22 C LIG 1 3.330 1.635 1.551 0.00 0.00 +0.124 A BRANCH 20 23 ATOM 23 N LIG 1 6.744 0.695 0.991 0.00 0.00 -0.300 N ATOM 24 C LIG 1 7.259 1.174 2.266 0.00 0.00 +0.132 C BRANCH 23 25 ATOM 25 C LIG 1 7.492 -0.383 0.323 0.00 0.00 +0.080 C ATOM 26 C LIG 1 7.551 -0.203 -1.202 0.00 0.00 +0.050 C ATOM 27 C LIG 1 7.531 -1.548 -1.912 0.00 0.00 +0.161 C ATOM 28 O LIG 1 8.389 -2.457 -1.230 0.00 0.00 -0.380 OA ATOM 29 C LIG 1 7.882 -2.852 0.046 0.00 0.00 +0.161 C ATOM 30 C LIG 1 7.039 -1.784 0.739 0.00 0.00 +0.050 C ENDBRANCH 23 25 ENDBRANCH 20 23 ENDBRANCH 4 17 BRANCH 2 31 ATOM 31 N LIG 1 -1.865 -0.970 -0.420 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.838 -0.675 -0.496 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.537 -2.285 -0.626 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.434 -2.804 -0.547 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -2.729 -3.118 -0.955 0.00 0.00 +0.065 A ATOM 36 C LIG 1 -3.241 -4.136 -0.045 0.00 0.00 +0.073 A ATOM 37 C LIG 1 -4.324 -4.855 -0.403 0.00 0.00 +0.083 A ATOM 38 C LIG 1 -4.986 -4.624 -1.711 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -5.971 -5.268 -2.046 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -4.427 -3.648 -2.498 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -4.876 -3.498 -3.396 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -3.325 -2.912 -2.141 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -2.564 -4.322 1.279 0.00 0.00 +0.418 C ATOM 44 F LIG 1 -1.333 -4.874 1.165 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.432 -3.148 1.949 0.00 0.00 -0.166 F ATOM 46 F LIG 1 -3.276 -5.143 2.099 0.00 0.00 -0.166 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7