REMARK Name = BDB027297 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.267 0.091 -1.188 0.00 0.00 -0.003 A ATOM 2 C LIG 1 -0.497 -1.013 -0.786 0.00 0.00 +0.053 A ATOM 3 C LIG 1 0.205 -2.078 -0.213 0.00 0.00 +0.134 A ATOM 4 N LIG 1 1.542 -2.112 0.000 0.00 0.00 -0.253 NA ATOM 5 C LIG 1 2.263 -1.028 -0.365 0.00 0.00 +0.071 A ATOM 6 C LIG 1 1.657 0.073 -0.970 0.00 0.00 +0.035 A ENDROOT BRANCH 5 7 ATOM 7 C LIG 1 3.712 -1.099 -0.089 0.00 0.00 +0.003 A ATOM 8 C LIG 1 4.385 -2.333 -0.105 0.00 0.00 +0.052 A ATOM 9 C LIG 1 5.754 -2.418 0.153 0.00 0.00 +0.166 A ATOM 10 F LIG 1 6.316 -3.635 0.133 0.00 0.00 -0.202 F ATOM 11 C LIG 1 6.505 -1.280 0.438 0.00 0.00 +0.162 A ATOM 12 C LIG 1 5.850 -0.048 0.474 0.00 0.00 +0.049 A ATOM 13 C LIG 1 4.476 0.042 0.215 0.00 0.00 +0.014 A BRANCH 11 14 ATOM 14 O LIG 1 7.842 -1.217 0.711 0.00 0.00 -0.431 OA BRANCH 14 15 ATOM 15 C LIG 1 8.596 -2.403 0.521 0.00 0.00 +0.541 C ATOM 16 F LIG 1 8.600 -2.721 -0.797 0.00 0.00 -0.166 F ATOM 17 F LIG 1 9.883 -2.107 0.844 0.00 0.00 -0.166 F ENDBRANCH 14 15 ENDBRANCH 11 14 ENDBRANCH 5 7 BRANCH 2 18 ATOM 18 N LIG 1 -1.890 -1.024 -0.996 0.00 0.00 -0.327 N ATOM 19 C LIG 1 -2.667 -1.160 0.264 0.00 0.00 +0.129 C ATOM 20 C LIG 1 -4.204 -1.380 0.011 0.00 0.00 +0.064 C ATOM 21 C LIG 1 -4.550 -0.943 -1.436 0.00 0.00 +0.028 C ATOM 22 C LIG 1 -3.705 -1.642 -2.510 0.00 0.00 +0.021 C ATOM 23 C LIG 1 -2.281 -1.963 -2.053 0.00 0.00 +0.105 C BRANCH 20 24 ATOM 24 N LIG 1 -4.542 -2.818 0.148 0.00 0.00 -0.321 NA ATOM 25 H LIG 1 -4.031 -3.385 -0.525 0.00 0.00 +0.119 HD ATOM 26 H LIG 1 -5.532 -2.969 -0.052 0.00 0.00 +0.119 HD ENDBRANCH 20 24 BRANCH 20 27 ATOM 27 C LIG 1 -5.053 -0.542 1.028 0.00 0.00 +0.202 C BRANCH 27 28 ATOM 28 C LIG 1 -4.821 -0.903 2.502 0.00 0.00 +0.371 C ATOM 29 F LIG 1 -5.490 0.013 3.264 0.00 0.00 -0.206 F ATOM 30 F LIG 1 -5.369 -2.103 2.808 0.00 0.00 -0.206 F ENDBRANCH 27 28 BRANCH 27 31 ATOM 31 O LIG 1 -4.810 0.864 0.824 0.00 0.00 -0.384 OA ATOM 32 H LIG 1 -5.291 1.339 1.530 0.00 0.00 +0.210 HD ENDBRANCH 27 31 ENDBRANCH 20 27 ENDBRANCH 2 18 BRANCH 1 33 ATOM 33 C LIG 1 -0.358 1.307 -1.829 0.00 0.00 +0.161 C BRANCH 33 38 ATOM 34 C LIG 1 0.214 5.197 1.002 0.00 0.00 +0.147 A ATOM 35 C LIG 1 -0.460 4.104 0.432 0.00 0.00 +0.147 A ATOM 36 N LIG 1 -1.741 3.615 0.592 0.00 0.00 -0.231 NA ATOM 37 C LIG 1 -1.804 2.575 -0.213 0.00 0.00 +0.202 A ATOM 38 N LIG 1 -0.616 2.351 -0.856 0.00 0.00 -0.310 N ATOM 39 C LIG 1 0.257 3.330 -0.467 0.00 0.00 +0.166 A ATOM 40 N LIG 1 1.530 3.511 -0.859 0.00 0.00 -0.216 NA ATOM 41 C LIG 1 2.072 4.582 -0.245 0.00 0.00 +0.225 A ATOM 42 N LIG 1 1.504 5.413 0.655 0.00 0.00 -0.219 NA BRANCH 34 43 ATOM 43 N LIG 1 -0.373 6.060 1.918 0.00 0.00 -0.341 N ATOM 44 H LIG 1 -1.185 5.665 2.378 0.00 0.00 +0.144 HD ATOM 45 H LIG 1 0.313 6.533 2.491 0.00 0.00 +0.144 HD ENDBRANCH 34 43 ENDBRANCH 33 38 ENDBRANCH 1 33 TORSDOF 11