REMARK Name = BDB035420 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 N LIG 1 -0.684 0.128 -0.678 0.00 0.00 -0.263 N ATOM 2 C LIG 1 0.498 0.537 -1.306 0.00 0.00 +0.251 C ATOM 3 O LIG 1 0.713 0.901 -2.448 0.00 0.00 -0.270 OA ATOM 4 C LIG 1 1.564 0.473 -0.298 0.00 0.00 +0.043 A ATOM 5 C LIG 1 2.906 0.774 -0.439 0.00 0.00 +0.018 A ATOM 6 C LIG 1 3.733 0.639 0.686 0.00 0.00 -0.032 A ATOM 7 C LIG 1 3.180 0.190 1.909 0.00 0.00 +0.017 A ATOM 8 C LIG 1 1.810 -0.117 2.034 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.014 0.038 0.902 0.00 0.00 -0.006 A ATOM 10 C LIG 1 -0.450 -0.203 0.723 0.00 0.00 +0.150 C ENDROOT BRANCH 1 13 ATOM 11 C LIG 1 -4.394 -0.494 -1.049 0.00 0.00 -0.032 A ATOM 12 C LIG 1 -3.083 -0.386 -0.521 0.00 0.00 +0.028 A ATOM 13 C LIG 1 -1.970 0.030 -1.275 0.00 0.00 +0.037 A ATOM 14 C LIG 1 -2.187 0.340 -2.619 0.00 0.00 +0.023 A ATOM 15 C LIG 1 -3.459 0.243 -3.182 0.00 0.00 +0.002 A ATOM 16 C LIG 1 -4.544 -0.165 -2.407 0.00 0.00 +0.005 A BRANCH 11 17 ATOM 17 C LIG 1 -5.615 -0.953 -0.113 0.00 0.00 +0.066 C ATOM 18 C LIG 1 -6.952 -1.421 -0.767 0.00 0.00 +0.095 C ATOM 19 C LIG 1 -7.023 -2.567 0.261 0.00 0.00 +0.251 C ATOM 20 F LIG 1 -7.801 -2.326 1.338 0.00 0.00 -0.206 F ATOM 21 F LIG 1 -7.418 -3.760 -0.240 0.00 0.00 -0.206 F ATOM 22 C LIG 1 -5.508 -2.406 0.465 0.00 0.00 +0.095 C BRANCH 17 25 ATOM 23 C LIG 1 -6.440 2.168 -0.368 0.00 0.00 +0.151 C ATOM 24 N LIG 1 -6.189 1.455 0.855 0.00 0.00 -0.320 N ATOM 25 C LIG 1 -5.841 0.141 1.015 0.00 0.00 +0.144 A ATOM 26 N LIG 1 -5.649 -0.093 2.296 0.00 0.00 -0.134 NA ATOM 27 N LIG 1 -5.891 1.072 2.983 0.00 0.00 -0.138 NA ATOM 28 C LIG 1 -6.215 1.992 2.105 0.00 0.00 +0.224 A ENDBRANCH 17 25 ENDBRANCH 11 17 ENDBRANCH 1 13 BRANCH 8 29 ATOM 29 C LIG 1 1.221 -0.588 3.337 0.00 0.00 +0.418 C ATOM 30 F LIG 1 2.144 -0.773 4.319 0.00 0.00 -0.166 F ATOM 31 F LIG 1 0.565 -1.773 3.207 0.00 0.00 -0.166 F ATOM 32 F LIG 1 0.310 0.292 3.834 0.00 0.00 -0.166 F ENDBRANCH 8 29 BRANCH 6 33 ATOM 33 C LIG 1 5.212 0.940 0.573 0.00 0.00 +0.116 C BRANCH 33 34 ATOM 34 N LIG 1 5.901 -0.174 -0.074 0.00 0.00 -0.307 NA ATOM 35 H LIG 1 5.801 -1.006 0.507 0.00 0.00 +0.123 HD BRANCH 34 36 ATOM 36 C LIG 1 7.295 0.144 -0.432 0.00 0.00 +0.017 C ATOM 37 C LIG 1 7.325 0.974 -1.747 0.00 0.00 +0.022 C ATOM 38 C LIG 1 7.318 -0.347 -2.543 0.00 0.00 +0.004 C ATOM 39 C LIG 1 7.827 -1.056 -1.272 0.00 0.00 +0.022 C ATOM 40 C LIG 1 8.180 0.561 0.724 0.00 0.00 +0.027 C ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 6 33 TORSDOF 7