REMARK Name = BDB065269 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.480 0.195 -0.398 0.00 0.00 -0.323 N ATOM 2 C LIG 1 0.887 0.265 -0.117 0.00 0.00 +0.069 A ATOM 3 C LIG 1 1.458 -0.755 -0.860 0.00 0.00 +0.090 A ATOM 4 C LIG 1 2.844 -0.972 -0.816 0.00 0.00 +0.040 A ATOM 5 C LIG 1 3.641 -0.137 -0.021 0.00 0.00 +0.002 A ATOM 6 C LIG 1 3.045 0.887 0.724 0.00 0.00 +0.012 A ATOM 7 N LIG 1 0.506 -1.423 -1.566 0.00 0.00 -0.230 NA ATOM 8 C LIG 1 1.663 1.113 0.688 0.00 0.00 +0.028 A ATOM 9 C LIG 1 -0.662 -0.872 -1.271 0.00 0.00 +0.132 A ENDROOT BRANCH 9 10 ATOM 10 C LIG 1 -1.913 -1.444 -1.887 0.00 0.00 +0.151 C ATOM 11 N LIG 1 -2.929 -1.927 -0.973 0.00 0.00 -0.258 N ATOM 12 C LIG 1 -4.207 -1.724 -1.544 0.00 0.00 +0.255 C ATOM 13 O LIG 1 -5.296 -2.059 -1.100 0.00 0.00 -0.272 OA ATOM 14 C LIG 1 -4.017 -1.055 -2.893 0.00 0.00 +0.254 C ATOM 15 F LIG 1 -4.898 -0.050 -3.141 0.00 0.00 -0.236 F ATOM 16 C LIG 1 -2.622 -0.480 -2.817 0.00 0.00 +0.077 C BRANCH 11 17 ATOM 17 C LIG 1 -2.693 -2.810 0.124 0.00 0.00 +0.040 A ATOM 18 C LIG 1 -3.685 -3.036 1.091 0.00 0.00 +0.064 A ATOM 19 C LIG 1 -3.448 -3.883 2.174 0.00 0.00 +0.160 A ATOM 20 F LIG 1 -4.411 -4.064 3.088 0.00 0.00 -0.202 F ATOM 21 C LIG 1 -2.228 -4.523 2.315 0.00 0.00 +0.159 A ATOM 22 F LIG 1 -2.002 -5.335 3.356 0.00 0.00 -0.202 F ATOM 23 C LIG 1 -1.230 -4.325 1.373 0.00 0.00 +0.043 A ATOM 24 C LIG 1 -1.464 -3.474 0.285 0.00 0.00 +0.026 A ENDBRANCH 11 17 ENDBRANCH 9 10 BRANCH 1 28 ATOM 25 C LIG 1 -3.188 3.293 0.862 0.00 0.00 +0.118 C ATOM 26 C LIG 1 -3.529 1.874 1.348 0.00 0.00 +0.033 C ATOM 27 C LIG 1 -2.789 0.763 0.586 0.00 0.00 +0.027 C ATOM 28 C LIG 1 -1.399 1.207 0.129 0.00 0.00 +0.089 C ATOM 29 C LIG 1 -1.460 2.447 -0.789 0.00 0.00 +0.027 C ATOM 30 C LIG 1 -2.740 3.271 -0.601 0.00 0.00 +0.033 C BRANCH 25 32 ATOM 31 C LIG 1 -2.040 5.198 1.725 0.00 0.00 +0.194 C ATOM 32 O LIG 1 -2.124 3.779 1.693 0.00 0.00 -0.380 OA ENDBRANCH 25 32 ENDBRANCH 1 28 BRANCH 5 33 ATOM 33 C LIG 1 5.082 -0.354 0.036 0.00 0.00 +0.069 A ATOM 34 N LIG 1 6.040 0.553 -0.350 0.00 0.00 -0.266 N ATOM 35 C LIG 1 5.832 1.864 -0.924 0.00 0.00 +0.173 C ATOM 36 N LIG 1 7.303 0.117 -0.174 0.00 0.00 -0.167 NA ATOM 37 C LIG 1 7.165 -1.136 0.304 0.00 0.00 +0.166 A ATOM 38 C LIG 1 5.792 -1.468 0.439 0.00 0.00 +0.062 A BRANCH 37 39 ATOM 39 C LIG 1 8.339 -2.018 0.635 0.00 0.00 +0.436 C ATOM 40 F LIG 1 7.939 -3.243 1.081 0.00 0.00 -0.164 F ATOM 41 F LIG 1 9.125 -1.495 1.614 0.00 0.00 -0.164 F ATOM 42 F LIG 1 9.140 -2.248 -0.439 0.00 0.00 -0.164 F ENDBRANCH 37 39 ENDBRANCH 5 33 TORSDOF 6