REMARK Name = BDB025879 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.414 -0.634 -0.240 0.00 0.00 +0.015 A ATOM 2 C LIG 1 0.828 -1.783 -0.793 0.00 0.00 +0.133 A ATOM 3 F LIG 1 1.588 -2.811 -1.203 0.00 0.00 -0.205 F ATOM 4 C LIG 1 -0.554 -1.915 -0.926 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -1.399 -0.884 -0.508 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.827 0.287 0.041 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.560 0.407 0.168 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.809 -0.959 -0.614 0.00 0.00 -0.325 N ATOM 9 C LIG 1 -3.304 -1.028 -2.011 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -4.245 -2.243 -2.269 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -4.738 -2.165 -3.721 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -5.377 -2.280 -1.309 0.00 0.00 -0.297 NA ATOM 13 C LIG 1 -6.186 -3.494 -1.426 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -4.930 -2.077 0.098 0.00 0.00 +0.071 C ATOM 15 C LIG 1 -5.638 -0.824 0.629 0.00 0.00 +0.026 C ATOM 16 C LIG 1 -3.392 -1.968 0.294 0.00 0.00 +0.123 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 17 N LIG 1 5.707 -0.408 0.139 0.00 0.00 -0.296 N ATOM 18 C LIG 1 5.155 -0.354 -1.212 0.00 0.00 +0.113 C ATOM 19 C LIG 1 3.759 -0.992 -1.233 0.00 0.00 +0.054 C ATOM 20 C LIG 1 2.884 -0.492 -0.110 0.00 0.00 -0.038 C ATOM 21 C LIG 1 3.450 0.058 0.981 0.00 0.00 -0.004 C ATOM 22 C LIG 1 4.931 0.239 1.192 0.00 0.00 +0.135 C BRANCH 17 27 ATOM 23 C LIG 1 11.237 0.581 0.519 0.00 0.00 +0.047 C ATOM 24 C LIG 1 9.779 0.300 0.426 0.00 0.00 -0.014 A ATOM 25 C LIG 1 8.920 0.442 1.488 0.00 0.00 +0.119 A ATOM 26 N LIG 1 7.592 0.222 1.415 0.00 0.00 -0.222 NA ATOM 27 C LIG 1 7.076 -0.147 0.228 0.00 0.00 +0.218 A ATOM 28 N LIG 1 7.843 -0.294 -0.867 0.00 0.00 -0.222 NA ATOM 29 C LIG 1 9.166 -0.066 -0.748 0.00 0.00 +0.119 A ENDBRANCH 17 27 ENDBRANCH 1 20 BRANCH 6 30 ATOM 30 N LIG 1 -1.750 1.277 0.436 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.711 0.978 0.271 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.498 2.515 0.967 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.413 3.043 1.166 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.753 3.259 1.271 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.650 2.916 2.368 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.766 3.648 2.557 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.080 4.794 1.668 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.096 5.457 1.824 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.163 5.049 0.680 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.368 5.842 0.082 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.023 4.309 0.481 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.282 1.782 3.273 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -3.359 0.588 2.633 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -4.115 1.689 4.344 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -2.029 1.895 3.771 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 6 30 TORSDOF 6