REMARK Name = BDB026172 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.921 0.451 0.371 0.00 0.00 +0.019 A ATOM 2 C LIG 1 1.433 1.657 0.891 0.00 0.00 +0.133 A ATOM 3 F LIG 1 2.273 2.675 1.135 0.00 0.00 -0.205 F ATOM 4 C LIG 1 0.077 1.860 1.157 0.00 0.00 +0.064 A ATOM 5 C LIG 1 -0.859 0.858 0.902 0.00 0.00 +0.054 A ATOM 6 C LIG 1 -0.377 -0.381 0.401 0.00 0.00 +0.056 A ATOM 7 C LIG 1 0.985 -0.571 0.135 0.00 0.00 +0.036 A ENDROOT BRANCH 5 8 ATOM 8 N LIG 1 -2.243 1.018 1.099 0.00 0.00 -0.326 N ATOM 9 C LIG 1 -2.729 1.796 2.260 0.00 0.00 +0.123 C ATOM 10 C LIG 1 -3.017 3.303 1.961 0.00 0.00 +0.071 C ATOM 11 C LIG 1 -3.713 3.900 3.194 0.00 0.00 +0.026 C ATOM 12 N LIG 1 -3.820 3.502 0.724 0.00 0.00 -0.300 NA ATOM 13 C LIG 1 -3.986 4.917 0.383 0.00 0.00 +0.105 C ATOM 14 C LIG 1 -3.166 2.800 -0.405 0.00 0.00 +0.103 C ATOM 15 C LIG 1 -3.006 1.291 -0.143 0.00 0.00 +0.120 C ENDBRANCH 5 8 BRANCH 1 20 ATOM 16 C LIG 1 6.113 -0.168 -0.463 0.00 0.00 +0.072 A ATOM 17 C LIG 1 5.136 -0.503 -1.400 0.00 0.00 +0.136 A ATOM 18 F LIG 1 5.467 -1.032 -2.588 0.00 0.00 -0.205 F ATOM 19 C LIG 1 3.779 -0.303 -1.134 0.00 0.00 +0.047 A ATOM 20 C LIG 1 3.354 0.244 0.088 0.00 0.00 -0.012 A ATOM 21 C LIG 1 4.341 0.579 1.029 0.00 0.00 +0.009 A ATOM 22 C LIG 1 5.701 0.376 0.760 0.00 0.00 +0.016 A BRANCH 16 26 ATOM 23 C LIG 1 9.341 -1.147 -2.212 0.00 0.00 +0.128 C ATOM 24 N LIG 1 7.962 -0.847 -1.926 0.00 0.00 -0.314 N ATOM 25 H LIG 1 7.256 -1.145 -2.590 0.00 0.00 +0.149 HD ATOM 26 C LIG 1 7.572 -0.362 -0.697 0.00 0.00 +0.247 C ATOM 27 O LIG 1 8.373 -0.095 0.194 0.00 0.00 -0.270 OA ENDBRANCH 16 26 ENDBRANCH 1 20 BRANCH 6 28 ATOM 28 N LIG 1 -1.343 -1.399 0.248 0.00 0.00 -0.280 N ATOM 29 H LIG 1 -2.261 -1.112 0.580 0.00 0.00 +0.155 HD ATOM 30 C LIG 1 -1.196 -2.634 -0.329 0.00 0.00 +0.250 C ATOM 31 O LIG 1 -0.207 -3.088 -0.889 0.00 0.00 -0.270 OA BRANCH 30 32 ATOM 32 C LIG 1 -2.451 -3.442 -0.292 0.00 0.00 +0.062 A ATOM 33 C LIG 1 -3.097 -3.908 -1.515 0.00 0.00 +0.036 A ATOM 34 C LIG 1 -4.210 -4.663 -1.429 0.00 0.00 +0.080 A ATOM 35 C LIG 1 -4.776 -5.024 -0.106 0.00 0.00 +0.249 A ATOM 36 O LIG 1 -5.786 -5.710 -0.010 0.00 0.00 -0.268 OA ATOM 37 N LIG 1 -4.097 -4.541 0.986 0.00 0.00 -0.328 N ATOM 38 H LIG 1 -4.481 -4.800 1.889 0.00 0.00 +0.168 HD ATOM 39 C LIG 1 -2.960 -3.776 0.906 0.00 0.00 +0.099 A BRANCH 33 40 ATOM 40 C LIG 1 -2.500 -3.497 -2.830 0.00 0.00 +0.372 C ATOM 41 F LIG 1 -2.498 -2.140 -2.945 0.00 0.00 -0.204 F ATOM 42 F LIG 1 -3.246 -3.950 -3.877 0.00 0.00 -0.204 F ENDBRANCH 33 40 ENDBRANCH 30 32 ENDBRANCH 6 28 TORSDOF 6