REMARK Name = BDB026278 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.174 1.143 0.559 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.434 -0.024 0.243 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.949 -0.068 0.454 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.633 1.035 0.988 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.883 2.175 1.312 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.477 3.252 1.850 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.494 2.236 1.100 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -3.216 4.188 -0.778 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.923 2.856 -1.058 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.064 2.750 -0.115 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.342 2.616 -0.807 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.890 1.669 0.875 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.441 1.572 1.389 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.553 1.167 0.288 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.908 1.674 -1.057 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.093 0.963 1.224 0.00 0.00 -0.038 C ATOM 17 C LIG 1 3.655 -0.304 1.832 0.00 0.00 +0.054 C ATOM 18 C LIG 1 5.073 -0.093 2.380 0.00 0.00 +0.111 C ATOM 19 N LIG 1 5.912 0.648 1.423 0.00 0.00 -0.311 N ATOM 20 C LIG 1 5.404 1.989 1.106 0.00 0.00 +0.134 C ATOM 21 C LIG 1 3.913 1.984 0.905 0.00 0.00 -0.004 C BRANCH 19 22 ATOM 22 C LIG 1 6.498 -0.103 0.402 0.00 0.00 +0.126 A ATOM 23 N LIG 1 6.215 -1.416 0.309 0.00 0.00 -0.204 NA ATOM 24 C LIG 1 6.811 -2.120 -0.672 0.00 0.00 +0.234 A ATOM 25 N LIG 1 7.690 -1.640 -1.569 0.00 0.00 -0.227 NA ATOM 26 C LIG 1 7.979 -0.339 -1.432 0.00 0.00 +0.117 A ATOM 27 C LIG 1 7.418 0.467 -0.465 0.00 0.00 +0.063 A BRANCH 24 28 ATOM 28 C LIG 1 6.491 -3.521 -0.756 0.00 0.00 +0.140 C ATOM 29 N LIG 1 6.241 -4.656 -0.824 0.00 0.00 -0.188 NA ENDBRANCH 24 28 ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 30 ATOM 30 N LIG 1 -1.191 -1.109 -0.253 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.189 -0.903 -0.259 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -0.749 -2.344 -0.653 0.00 0.00 +0.250 C ATOM 33 O LIG 1 0.413 -2.728 -0.711 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -1.847 -3.237 -1.139 0.00 0.00 +0.062 A ATOM 35 C LIG 1 -3.022 -3.630 -0.363 0.00 0.00 +0.036 A ATOM 36 C LIG 1 -3.929 -4.460 -0.916 0.00 0.00 +0.080 A ATOM 37 C LIG 1 -3.748 -4.975 -2.296 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -4.580 -5.713 -2.808 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -2.604 -4.572 -2.935 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -2.462 -4.940 -3.869 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -1.671 -3.733 -2.377 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -3.187 -3.139 1.042 0.00 0.00 +0.372 C ATOM 43 F LIG 1 -3.531 -1.823 1.043 0.00 0.00 -0.204 F ATOM 44 F LIG 1 -2.040 -3.248 1.759 0.00 0.00 -0.204 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7