REMARK Name = BDB035751 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.522 1.075 0.706 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.114 -0.088 0.258 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.328 -1.109 -0.232 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.553 0.097 0.481 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.589 -0.776 0.199 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.893 -0.367 0.505 0.00 0.00 -0.032 A ATOM 7 C LIG 1 4.106 0.910 1.081 0.00 0.00 +0.017 A ATOM 8 C LIG 1 3.041 1.787 1.362 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.758 1.349 1.048 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.444 2.040 1.216 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.245 0.651 0.122 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -2.846 0.416 0.175 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.918 1.344 0.677 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.417 2.562 1.153 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.784 2.836 1.123 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.678 1.895 0.615 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.243 -0.477 -0.470 0.00 0.00 +0.061 C ATOM 18 C LIG 1 -4.994 -0.851 -1.973 0.00 0.00 +0.060 C ATOM 19 C LIG 1 -6.345 -0.215 -2.378 0.00 0.00 +0.128 C ATOM 20 C LIG 1 -6.706 -0.101 -0.876 0.00 0.00 +0.060 C BRANCH 17 23 ATOM 21 C LIG 1 -5.716 -0.679 2.734 0.00 0.00 +0.151 C ATOM 22 N LIG 1 -5.460 -1.779 1.846 0.00 0.00 -0.320 N ATOM 23 C LIG 1 -5.253 -1.749 0.492 0.00 0.00 +0.144 A ATOM 24 N LIG 1 -5.097 -2.987 0.068 0.00 0.00 -0.134 NA ATOM 25 N LIG 1 -5.186 -3.829 1.149 0.00 0.00 -0.138 NA ATOM 26 C LIG 1 -5.396 -3.089 2.210 0.00 0.00 +0.224 A ENDBRANCH 17 23 BRANCH 19 27 ATOM 27 C LIG 1 -6.220 1.131 -3.099 0.00 0.00 +0.372 C ATOM 28 F LIG 1 -5.497 0.985 -4.238 0.00 0.00 -0.206 F ATOM 29 F LIG 1 -5.558 2.027 -2.325 0.00 0.00 -0.206 F ENDBRANCH 19 27 BRANCH 19 30 ATOM 30 O LIG 1 -7.213 -1.114 -3.126 0.00 0.00 -0.383 OA ATOM 31 H LIG 1 -8.122 -0.804 -2.981 0.00 0.00 +0.210 HD ENDBRANCH 19 30 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 32 ATOM 32 C LIG 1 3.271 3.145 1.964 0.00 0.00 +0.418 C ATOM 33 F LIG 1 2.562 3.321 3.115 0.00 0.00 -0.166 F ATOM 34 F LIG 1 4.568 3.402 2.280 0.00 0.00 -0.166 F ATOM 35 F LIG 1 2.875 4.150 1.135 0.00 0.00 -0.166 F ENDBRANCH 8 32 BRANCH 6 36 ATOM 36 C LIG 1 5.072 -1.269 0.211 0.00 0.00 +0.116 C BRANCH 36 37 ATOM 37 N LIG 1 5.892 -0.692 -0.853 0.00 0.00 -0.307 NA ATOM 38 H LIG 1 5.332 -0.656 -1.706 0.00 0.00 +0.123 HD BRANCH 37 39 ATOM 39 C LIG 1 7.183 -1.387 -1.020 0.00 0.00 +0.017 C ATOM 40 C LIG 1 8.186 -0.901 0.063 0.00 0.00 +0.022 C ATOM 41 C LIG 1 8.579 0.263 -0.868 0.00 0.00 +0.004 C ATOM 42 C LIG 1 8.009 -0.554 -2.045 0.00 0.00 +0.022 C ATOM 43 C LIG 1 7.085 -2.867 -1.326 0.00 0.00 +0.027 C ENDBRANCH 37 39 ENDBRANCH 36 37 ENDBRANCH 6 36 TORSDOF 9