REMARK Name = BDB025869 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -2.325 -1.025 -0.442 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.498 -0.086 0.229 0.00 0.00 +0.055 A ATOM 3 C LIG 1 -0.131 -0.004 -0.060 0.00 0.00 +0.032 A ATOM 4 C LIG 1 0.448 -0.836 -1.031 0.00 0.00 -0.007 A ATOM 5 C LIG 1 -0.381 -1.747 -1.692 0.00 0.00 +0.129 A ATOM 6 F LIG 1 0.132 -2.563 -2.624 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.742 -1.846 -1.408 0.00 0.00 +0.063 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -4.676 -4.409 1.654 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.438 -3.448 0.484 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.601 -3.366 -0.446 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.837 -2.936 0.211 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.210 -2.490 -1.586 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.311 -2.351 -2.646 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.687 -1.083 -1.173 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.688 -1.097 -0.081 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.955 -2.069 1.008 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.926 -0.771 -1.362 0.00 0.00 +0.025 C ATOM 18 C LIG 1 2.800 -1.174 -0.167 0.00 0.00 +0.027 C ATOM 19 C LIG 1 4.278 -1.139 -0.541 0.00 0.00 +0.108 C ATOM 20 N LIG 1 4.680 0.140 -1.128 0.00 0.00 -0.301 N ATOM 21 C LIG 1 6.028 0.497 -0.988 0.00 0.00 +0.216 C ATOM 22 O LIG 1 6.804 -0.172 -0.306 0.00 0.00 -0.276 OA ATOM 23 C LIG 1 3.835 0.641 -2.215 0.00 0.00 +0.108 C ATOM 24 C LIG 1 2.351 0.617 -1.861 0.00 0.00 +0.027 C BRANCH 21 25 ATOM 25 C LIG 1 6.474 1.767 -1.714 0.00 0.00 +0.102 C BRANCH 25 26 ATOM 26 C LIG 1 7.934 2.245 -1.499 0.00 0.00 -0.029 C ATOM 27 C LIG 1 8.123 3.545 -2.311 0.00 0.00 +0.011 C ATOM 28 C LIG 1 8.951 1.214 -2.018 0.00 0.00 +0.011 C ATOM 29 C LIG 1 8.214 2.564 -0.021 0.00 0.00 +0.011 C ENDBRANCH 25 26 ENDBRANCH 21 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.152 0.749 1.161 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -3.150 0.551 1.209 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.623 1.777 1.898 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.470 2.187 1.902 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.650 2.463 2.732 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.240 1.884 3.933 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.152 2.595 4.626 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -4.558 3.950 4.175 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -5.397 4.596 4.788 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -3.934 4.413 3.043 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.195 5.347 2.746 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -2.998 3.699 2.337 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.791 0.527 4.375 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -1.445 0.421 4.465 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -3.219 -0.437 3.520 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.288 0.193 5.596 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7