REMARK Name = BDB035040 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.498 -1.216 0.938 0.00 0.00 +0.264 C ATOM 2 N LIG 1 -0.764 -0.886 0.421 0.00 0.00 -0.282 N ATOM 3 O LIG 1 0.626 -2.156 1.726 0.00 0.00 -0.268 OA ENDROOT BRANCH 1 12 ATOM 4 C LIG 1 7.563 0.589 -0.259 0.00 0.00 +0.047 C ATOM 5 C LIG 1 6.069 0.696 -0.142 0.00 0.00 -0.009 A ATOM 6 C LIG 1 5.397 1.889 -0.445 0.00 0.00 +0.120 A ATOM 7 N LIG 1 4.064 2.054 -0.385 0.00 0.00 -0.231 NA ATOM 8 C LIG 1 3.360 0.970 0.008 0.00 0.00 +0.091 A ATOM 9 C LIG 1 3.947 -0.239 0.340 0.00 0.00 +0.066 A ATOM 10 N LIG 1 2.931 -1.083 0.701 0.00 0.00 -0.349 N ATOM 11 H LIG 1 3.042 -2.038 1.019 0.00 0.00 +0.166 HD ATOM 12 C LIG 1 1.693 -0.469 0.581 0.00 0.00 +0.105 A ATOM 13 C LIG 1 1.961 0.830 0.175 0.00 0.00 +0.060 A ATOM 14 C LIG 1 5.326 -0.415 0.277 0.00 0.00 +0.034 A BRANCH 6 15 ATOM 15 N LIG 1 6.107 3.020 -0.865 0.00 0.00 -0.343 N ATOM 16 H LIG 1 6.812 3.278 -0.185 0.00 0.00 +0.144 HD ATOM 17 H LIG 1 5.418 3.759 -0.988 0.00 0.00 +0.144 HD ENDBRANCH 6 15 ENDBRANCH 1 12 BRANCH 2 18 ATOM 18 C LIG 1 -1.866 -1.832 0.736 0.00 0.00 +0.127 C ATOM 19 C LIG 1 -2.061 -2.905 -0.336 0.00 0.00 +0.083 A ATOM 20 C LIG 1 -3.315 -3.496 -0.535 0.00 0.00 +0.064 A ATOM 21 N LIG 1 -3.503 -4.482 -1.452 0.00 0.00 -0.257 NA ATOM 22 C LIG 1 -2.410 -4.867 -2.145 0.00 0.00 +0.130 A ATOM 23 C LIG 1 -1.171 -4.290 -1.949 0.00 0.00 +0.131 A ATOM 24 C LIG 1 -4.549 -3.023 0.183 0.00 0.00 +0.057 C ATOM 25 C LIG 1 -4.258 -2.163 1.409 0.00 0.00 +0.008 C ATOM 26 N LIG 1 -0.969 -3.304 -1.049 0.00 0.00 -0.255 NA ATOM 27 C LIG 1 -3.188 -1.125 1.085 0.00 0.00 +0.029 C ENDBRANCH 2 18 BRANCH 2 28 ATOM 28 C LIG 1 -0.971 0.015 -0.722 0.00 0.00 +0.164 C BRANCH 28 29 ATOM 29 C LIG 1 -1.630 1.339 -0.374 0.00 0.00 +0.059 A ATOM 30 N LIG 1 -2.437 1.875 -1.325 0.00 0.00 -0.258 NA ATOM 31 C LIG 1 -3.030 3.063 -1.062 0.00 0.00 +0.123 A ATOM 32 C LIG 1 -2.869 3.764 0.122 0.00 0.00 +0.073 A ATOM 33 C LIG 1 -2.030 3.205 1.088 0.00 0.00 +0.016 A ATOM 34 C LIG 1 -1.406 1.984 0.841 0.00 0.00 +0.025 A BRANCH 32 35 ATOM 35 C LIG 1 -3.553 5.081 0.312 0.00 0.00 +0.419 C ATOM 36 F LIG 1 -3.676 5.439 1.620 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -2.890 6.103 -0.294 0.00 0.00 -0.166 F ATOM 38 F LIG 1 -4.816 5.101 -0.198 0.00 0.00 -0.166 F ENDBRANCH 32 35 ENDBRANCH 28 29 ENDBRANCH 2 28 TORSDOF 6