REMARK Name = BDB029304 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.992 -1.330 0.940 0.00 0.00 -0.032 A ATOM 2 C LIG 1 3.361 -2.303 0.129 0.00 0.00 +0.017 A ATOM 3 C LIG 1 1.996 -2.212 -0.210 0.00 0.00 +0.061 A ATOM 4 C LIG 1 1.284 -1.126 0.291 0.00 0.00 -0.006 A ATOM 5 C LIG 1 -0.154 -0.762 0.109 0.00 0.00 +0.150 C ATOM 6 N LIG 1 -0.297 0.470 0.873 0.00 0.00 -0.263 N ATOM 7 C LIG 1 0.914 0.839 1.471 0.00 0.00 +0.251 C ATOM 8 O LIG 1 1.200 1.784 2.183 0.00 0.00 -0.270 OA ATOM 9 C LIG 1 1.905 -0.177 1.093 0.00 0.00 +0.043 A ATOM 10 C LIG 1 3.243 -0.251 1.433 0.00 0.00 +0.018 A ENDROOT BRANCH 6 11 ATOM 11 C LIG 1 -1.534 1.168 0.964 0.00 0.00 +0.037 A ATOM 12 C LIG 1 -2.685 0.679 0.316 0.00 0.00 +0.027 A ATOM 13 C LIG 1 -3.944 1.329 0.362 0.00 0.00 -0.039 A ATOM 14 C LIG 1 -4.006 2.507 1.125 0.00 0.00 +0.004 A ATOM 15 C LIG 1 -2.884 3.015 1.776 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -1.659 2.352 1.692 0.00 0.00 +0.023 A BRANCH 13 17 ATOM 17 C LIG 1 -5.254 0.710 -0.403 0.00 0.00 +0.005 C ATOM 18 C LIG 1 -6.231 1.766 -1.058 0.00 0.00 +0.030 C ATOM 19 C LIG 1 -5.371 1.676 -2.344 0.00 0.00 +0.093 C ATOM 20 C LIG 1 -4.995 0.243 -1.895 0.00 0.00 +0.030 C BRANCH 19 21 ATOM 21 C LIG 1 -6.095 1.789 -3.589 0.00 0.00 +0.066 C ATOM 22 N LIG 1 -6.677 1.905 -4.586 0.00 0.00 -0.196 NA ENDBRANCH 19 21 BRANCH 17 23 ATOM 23 C LIG 1 -5.889 -0.311 0.565 0.00 0.00 +0.088 C BRANCH 23 24 ATOM 24 C LIG 1 -7.117 -0.997 0.077 0.00 0.00 +0.134 A ATOM 25 N LIG 1 -8.399 -0.726 0.481 0.00 0.00 -0.320 N ATOM 26 C LIG 1 -8.833 0.254 1.440 0.00 0.00 +0.151 C ATOM 27 C LIG 1 -9.203 -1.583 -0.204 0.00 0.00 +0.224 A ATOM 28 N LIG 1 -8.468 -2.348 -0.975 0.00 0.00 -0.138 NA ATOM 29 N LIG 1 -7.156 -1.988 -0.791 0.00 0.00 -0.135 NA ENDBRANCH 23 24 ENDBRANCH 17 23 ENDBRANCH 13 17 ENDBRANCH 6 11 BRANCH 3 30 ATOM 30 C LIG 1 1.326 -3.242 -1.078 0.00 0.00 +0.418 C ATOM 31 F LIG 1 0.805 -2.698 -2.212 0.00 0.00 -0.166 F ATOM 32 F LIG 1 2.153 -4.243 -1.484 0.00 0.00 -0.166 F ATOM 33 F LIG 1 0.283 -3.846 -0.444 0.00 0.00 -0.166 F ENDBRANCH 3 30 BRANCH 1 34 ATOM 34 C LIG 1 5.462 -1.462 1.296 0.00 0.00 +0.119 C BRANCH 34 38 ATOM 35 C LIG 1 7.913 -0.258 -2.555 0.00 0.00 +0.009 C ATOM 36 C LIG 1 7.828 -0.409 -1.037 0.00 0.00 +0.000 C ATOM 37 C LIG 1 6.409 -0.114 -0.528 0.00 0.00 +0.088 C ATOM 38 N LIG 1 6.249 -0.278 0.927 0.00 0.00 -0.298 NA ATOM 39 C LIG 1 7.515 -0.246 1.671 0.00 0.00 +0.085 C ATOM 40 C LIG 1 8.475 0.797 1.109 0.00 0.00 +0.016 C ATOM 41 C LIG 1 8.853 0.497 -0.341 0.00 0.00 +0.006 C ENDBRANCH 34 38 ENDBRANCH 1 34 TORSDOF 8