REMARK Name = BDB035847 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 0.481 -1.073 -0.544 0.00 0.00 -0.263 N ATOM 2 C LIG 1 -0.730 -1.724 -0.797 0.00 0.00 +0.251 C ATOM 3 O LIG 1 -0.978 -2.781 -1.347 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 -1.793 -0.877 -0.242 0.00 0.00 +0.043 A ATOM 5 C LIG 1 -3.159 -1.096 -0.250 0.00 0.00 +0.018 A ATOM 6 C LIG 1 -3.982 -0.131 0.345 0.00 0.00 -0.032 A ATOM 7 C LIG 1 -3.396 1.023 0.923 0.00 0.00 +0.017 A ATOM 8 C LIG 1 -2.002 1.228 0.927 0.00 0.00 +0.061 A ATOM 9 C LIG 1 -1.214 0.252 0.326 0.00 0.00 -0.006 A ATOM 10 C LIG 1 0.271 0.186 0.159 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 4.242 -1.112 -0.961 0.00 0.00 -0.032 A ATOM 12 C LIG 1 2.921 -0.773 -0.569 0.00 0.00 +0.028 A ATOM 13 C LIG 1 1.777 -1.509 -0.936 0.00 0.00 +0.037 A ATOM 14 C LIG 1 1.968 -2.659 -1.700 0.00 0.00 +0.023 A ATOM 15 C LIG 1 3.249 -3.049 -2.088 0.00 0.00 +0.002 A ATOM 16 C LIG 1 4.360 -2.288 -1.724 0.00 0.00 +0.005 A BRANCH 11 19 ATOM 17 C LIG 1 7.362 -1.309 0.057 0.00 0.00 +0.120 C ATOM 18 C LIG 1 6.165 -0.740 0.845 0.00 0.00 +0.051 C ATOM 19 C LIG 1 5.540 -0.222 -0.488 0.00 0.00 +0.060 C ATOM 20 C LIG 1 6.917 -0.499 -1.175 0.00 0.00 +0.051 C BRANCH 19 21 ATOM 21 C LIG 1 5.216 1.354 -0.536 0.00 0.00 +0.144 A ATOM 22 N LIG 1 5.851 2.412 0.068 0.00 0.00 -0.320 N ATOM 23 C LIG 1 7.017 2.436 0.907 0.00 0.00 +0.151 C ATOM 24 C LIG 1 5.164 3.530 -0.305 0.00 0.00 +0.224 A ATOM 25 N LIG 1 4.187 3.200 -1.111 0.00 0.00 -0.138 NA ATOM 26 N LIG 1 4.236 1.841 -1.277 0.00 0.00 -0.134 NA ENDBRANCH 19 21 BRANCH 17 28 ATOM 27 C LIG 1 8.495 -3.295 -0.770 0.00 0.00 +0.194 C ATOM 28 O LIG 1 7.378 -2.745 -0.086 0.00 0.00 -0.380 OA ENDBRANCH 17 28 ENDBRANCH 11 19 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 -1.393 2.466 1.528 0.00 0.00 +0.418 C ATOM 30 F LIG 1 -0.942 3.333 0.582 0.00 0.00 -0.166 F ATOM 31 F LIG 1 -0.319 2.186 2.319 0.00 0.00 -0.166 F ATOM 32 F LIG 1 -2.253 3.174 2.310 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 -5.486 -0.303 0.360 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 -6.111 0.686 -0.514 0.00 0.00 -0.309 NA ATOM 35 H LIG 1 -5.781 0.520 -1.465 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 -7.569 0.823 -0.429 0.00 0.00 +0.055 C ATOM 37 C LIG 1 -8.359 -0.439 -0.035 0.00 0.00 +0.028 C ATOM 38 C LIG 1 -9.119 0.485 0.852 0.00 0.00 +0.007 C ATOM 39 C LIG 1 -10.569 0.807 0.750 0.00 0.00 +0.173 C ATOM 40 F LIG 1 -11.336 0.057 -0.121 0.00 0.00 -0.245 F ATOM 41 C LIG 1 -10.039 0.107 1.968 0.00 0.00 +0.047 C ATOM 42 C LIG 1 -8.002 1.466 0.904 0.00 0.00 +0.028 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 8