REMARK Name = BDB034594 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.262 1.019 -1.526 0.00 0.00 -0.280 N ATOM 2 H LIG 1 -0.919 1.519 -2.122 0.00 0.00 +0.155 HD ATOM 3 C LIG 1 -0.825 -0.026 -0.819 0.00 0.00 +0.267 C ATOM 4 O LIG 1 -0.263 -0.783 -0.038 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 7 ATOM 5 C LIG 1 3.425 1.351 -0.735 0.00 0.00 -0.032 A ATOM 6 C LIG 1 2.084 0.882 -0.744 0.00 0.00 +0.027 A ATOM 7 C LIG 1 1.070 1.467 -1.514 0.00 0.00 +0.034 A ATOM 8 C LIG 1 1.382 2.558 -2.321 0.00 0.00 +0.023 A ATOM 9 C LIG 1 2.683 3.046 -2.360 0.00 0.00 +0.002 A ATOM 10 C LIG 1 3.681 2.450 -1.583 0.00 0.00 +0.004 A BRANCH 5 11 ATOM 11 C LIG 1 4.572 0.619 0.195 0.00 0.00 +0.080 C ATOM 12 C LIG 1 4.117 0.112 1.597 0.00 0.00 +0.177 C ATOM 13 O LIG 1 4.689 -1.198 1.337 0.00 0.00 -0.378 OA ATOM 14 C LIG 1 4.766 -0.896 -0.076 0.00 0.00 +0.177 C BRANCH 11 15 ATOM 15 C LIG 1 5.899 1.404 0.204 0.00 0.00 +0.248 C ATOM 16 F LIG 1 6.410 1.356 -1.067 0.00 0.00 -0.236 F BRANCH 15 19 ATOM 17 C LIG 1 8.614 -0.101 -0.363 0.00 0.00 +0.151 C ATOM 18 N LIG 1 8.123 0.352 0.911 0.00 0.00 -0.318 N ATOM 19 C LIG 1 6.956 1.019 1.189 0.00 0.00 +0.168 A ATOM 20 N LIG 1 6.961 1.339 2.470 0.00 0.00 -0.132 NA ATOM 21 N LIG 1 8.104 0.839 3.040 0.00 0.00 -0.138 NA ATOM 22 C LIG 1 8.790 0.247 2.093 0.00 0.00 +0.224 A ENDBRANCH 15 19 ENDBRANCH 11 15 ENDBRANCH 5 11 ENDBRANCH 1 7 BRANCH 3 23 ATOM 23 C LIG 1 -2.293 -0.189 -1.090 0.00 0.00 +0.127 A ATOM 24 N LIG 1 -2.838 0.688 -1.981 0.00 0.00 -0.238 NA ATOM 25 C LIG 1 -4.171 0.564 -2.245 0.00 0.00 +0.145 A ATOM 26 C LIG 1 -4.955 -0.418 -1.633 0.00 0.00 +0.037 A ATOM 27 C LIG 1 -4.376 -1.308 -0.717 0.00 0.00 -0.029 A ATOM 28 C LIG 1 -3.012 -1.187 -0.445 0.00 0.00 +0.038 A BRANCH 25 29 ATOM 29 C LIG 1 -4.838 1.529 -3.218 0.00 0.00 +0.434 C ATOM 30 F LIG 1 -5.533 0.886 -4.201 0.00 0.00 -0.164 F ATOM 31 F LIG 1 -3.963 2.354 -3.861 0.00 0.00 -0.164 F ATOM 32 F LIG 1 -5.740 2.348 -2.604 0.00 0.00 -0.164 F ENDBRANCH 25 29 BRANCH 27 33 ATOM 33 C LIG 1 -5.210 -2.375 -0.041 0.00 0.00 +0.120 C BRANCH 33 34 ATOM 34 N LIG 1 -6.348 -1.794 0.679 0.00 0.00 -0.292 NA ATOM 35 C LIG 1 -7.093 -2.852 1.408 0.00 0.00 +0.126 C ATOM 36 C LIG 1 -7.145 -1.917 2.645 0.00 0.00 +0.134 C ATOM 37 F LIG 1 -6.899 -2.516 3.837 0.00 0.00 -0.240 F ATOM 38 C LIG 1 -8.395 -1.060 2.771 0.00 0.00 +0.050 C ATOM 39 C LIG 1 -5.923 -1.225 1.985 0.00 0.00 +0.126 C ENDBRANCH 33 34 ENDBRANCH 27 33 ENDBRANCH 3 23 TORSDOF 8