REMARK Name = BDB025833 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.859 -0.852 -0.716 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -0.215 0.367 -0.383 0.00 0.00 +0.056 A ATOM 3 C LIG 1 1.173 0.501 -0.508 0.00 0.00 +0.036 A ATOM 4 C LIG 1 1.969 -0.564 -0.970 0.00 0.00 +0.021 A ATOM 5 C LIG 1 1.312 -1.757 -1.302 0.00 0.00 +0.133 A ATOM 6 F LIG 1 2.014 -2.817 -1.735 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.070 -1.905 -1.181 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -2.565 -3.883 0.898 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.472 -2.649 0.966 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.552 -2.829 -0.036 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -5.878 -2.826 0.574 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -4.478 -1.849 -1.136 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -3.029 -1.611 -1.604 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -2.253 -0.962 -0.530 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -2.643 -1.335 0.855 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 3.429 -0.419 -1.098 0.00 0.00 +0.003 A ATOM 17 C LIG 1 4.210 0.159 -0.100 0.00 0.00 +0.121 A ATOM 18 N LIG 1 5.557 0.324 -0.154 0.00 0.00 -0.240 NA ATOM 19 C LIG 1 6.214 -0.107 -1.252 0.00 0.00 +0.121 A ATOM 20 C LIG 1 5.512 -0.685 -2.309 0.00 0.00 +0.044 A ATOM 21 C LIG 1 4.126 -0.843 -2.231 0.00 0.00 +0.013 A BRANCH 19 22 ATOM 22 N LIG 1 7.613 0.057 -1.348 0.00 0.00 -0.321 N ATOM 23 C LIG 1 8.314 -1.219 -1.492 0.00 0.00 +0.130 C ATOM 24 C LIG 1 8.151 0.916 -0.292 0.00 0.00 +0.130 C ENDBRANCH 19 22 ENDBRANCH 4 16 BRANCH 2 25 ATOM 25 N LIG 1 -1.065 1.414 0.036 0.00 0.00 -0.280 N ATOM 26 H LIG 1 -2.046 1.147 -0.001 0.00 0.00 +0.155 HD ATOM 27 C LIG 1 -0.723 2.679 0.441 0.00 0.00 +0.250 C ATOM 28 O LIG 1 0.394 3.167 0.536 0.00 0.00 -0.270 OA BRANCH 27 29 ATOM 29 C LIG 1 -1.917 3.500 0.774 0.00 0.00 +0.065 A ATOM 30 C LIG 1 -2.597 3.434 2.062 0.00 0.00 +0.073 A ATOM 31 C LIG 1 -3.673 4.216 2.277 0.00 0.00 +0.083 A ATOM 32 C LIG 1 -4.165 5.135 1.218 0.00 0.00 +0.249 A ATOM 33 O LIG 1 -5.150 5.838 1.398 0.00 0.00 -0.268 OA ATOM 34 N LIG 1 -3.449 5.131 0.047 0.00 0.00 -0.328 N ATOM 35 H LIG 1 -3.773 5.772 -0.670 0.00 0.00 +0.168 HD ATOM 36 C LIG 1 -2.348 4.342 -0.178 0.00 0.00 +0.099 A BRANCH 30 37 ATOM 37 C LIG 1 -2.062 2.507 3.108 0.00 0.00 +0.418 C ATOM 38 F LIG 1 -2.163 1.209 2.720 0.00 0.00 -0.166 F ATOM 39 F LIG 1 -2.747 2.603 4.278 0.00 0.00 -0.166 F ATOM 40 F LIG 1 -0.762 2.741 3.402 0.00 0.00 -0.166 F ENDBRANCH 30 37 ENDBRANCH 27 29 ENDBRANCH 2 25 TORSDOF 6