REMARK Name = BDB027496 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.237 0.807 0.480 0.00 0.00 +0.053 A ATOM 2 C LIG 1 0.053 0.572 0.987 0.00 0.00 -0.003 A ATOM 3 C LIG 1 1.060 1.530 0.734 0.00 0.00 +0.035 A ATOM 4 C LIG 1 0.795 2.661 -0.039 0.00 0.00 +0.071 A ATOM 5 N LIG 1 -0.440 2.899 -0.526 0.00 0.00 -0.253 NA ATOM 6 C LIG 1 -1.403 1.987 -0.259 0.00 0.00 +0.134 A ENDROOT BRANCH 4 7 ATOM 7 C LIG 1 1.819 3.676 -0.361 0.00 0.00 +0.003 A ATOM 8 C LIG 1 1.459 5.030 -0.512 0.00 0.00 +0.051 A ATOM 9 C LIG 1 2.416 5.996 -0.815 0.00 0.00 +0.159 A ATOM 10 F LIG 1 2.040 7.276 -0.944 0.00 0.00 -0.202 F ATOM 11 C LIG 1 3.746 5.640 -0.981 0.00 0.00 +0.158 A ATOM 12 F LIG 1 4.665 6.570 -1.272 0.00 0.00 -0.202 F ATOM 13 C LIG 1 4.135 4.313 -0.850 0.00 0.00 +0.042 A ATOM 14 C LIG 1 3.177 3.339 -0.544 0.00 0.00 +0.013 A ENDBRANCH 4 7 BRANCH 1 16 ATOM 15 C LIG 1 -2.352 -1.321 -0.154 0.00 0.00 +0.099 C ATOM 16 N LIG 1 -2.291 -0.082 0.697 0.00 0.00 -0.323 N ATOM 17 C LIG 1 -3.567 0.486 1.173 0.00 0.00 +0.105 C ATOM 18 C LIG 1 -4.705 0.231 0.190 0.00 0.00 +0.020 C ATOM 19 C LIG 1 -4.912 -1.260 -0.099 0.00 0.00 +0.022 C ATOM 20 C LIG 1 -3.663 -2.098 0.215 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 N LIG 1 -3.788 -3.446 -0.345 0.00 0.00 -0.326 NA ATOM 22 H LIG 1 -4.662 -3.869 -0.034 0.00 0.00 +0.119 HD ATOM 23 H LIG 1 -3.871 -3.404 -1.369 0.00 0.00 +0.119 HD ENDBRANCH 20 21 BRANCH 15 24 ATOM 24 C LIG 1 -2.200 -1.019 -1.656 0.00 0.00 +0.119 C BRANCH 24 28 ATOM 25 N LIG 1 -0.738 -2.821 -2.373 0.00 0.00 -0.329 N ATOM 26 H LIG 1 -0.097 -2.551 -1.632 0.00 0.00 +0.145 HD ATOM 27 H LIG 1 -0.617 -3.735 -2.789 0.00 0.00 +0.145 HD ATOM 28 C LIG 1 -1.985 -2.279 -2.452 0.00 0.00 +0.212 C ATOM 29 O LIG 1 -2.872 -2.804 -3.118 0.00 0.00 -0.276 OA ENDBRANCH 24 28 ENDBRANCH 15 24 ENDBRANCH 1 16 BRANCH 2 30 ATOM 30 C LIG 1 0.332 -0.599 1.905 0.00 0.00 +0.161 C BRANCH 30 31 ATOM 31 N LIG 1 1.683 -1.130 1.790 0.00 0.00 -0.310 N ATOM 32 C LIG 1 2.256 -1.716 0.691 0.00 0.00 +0.166 A ATOM 33 C LIG 1 3.559 -1.986 1.084 0.00 0.00 +0.147 A ATOM 34 C LIG 1 4.409 -2.554 0.121 0.00 0.00 +0.147 A ATOM 35 N LIG 1 3.912 -2.806 -1.109 0.00 0.00 -0.219 NA ATOM 36 C LIG 1 2.625 -2.486 -1.356 0.00 0.00 +0.225 A ATOM 37 N LIG 1 3.766 -1.627 2.401 0.00 0.00 -0.231 NA ATOM 38 N LIG 1 1.706 -1.952 -0.516 0.00 0.00 -0.216 NA ATOM 39 C LIG 1 2.616 -1.125 2.795 0.00 0.00 +0.202 A BRANCH 34 40 ATOM 40 N LIG 1 5.737 -2.873 0.371 0.00 0.00 -0.341 N ATOM 41 H LIG 1 6.090 -3.575 -0.266 0.00 0.00 +0.144 HD ATOM 42 H LIG 1 5.949 -2.980 1.357 0.00 0.00 +0.144 HD ENDBRANCH 34 40 ENDBRANCH 30 31 ENDBRANCH 2 30 TORSDOF 8