REMARK Name = BDB025920 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.818 -1.010 0.674 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.181 0.252 0.809 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.188 0.337 1.089 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.955 -0.824 1.258 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.315 -2.063 1.139 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.011 -3.203 1.278 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.046 -2.161 0.852 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.299 -3.332 -1.919 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.232 -2.124 -1.724 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.497 -2.415 -1.000 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -6.114 -3.682 -1.355 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.467 -2.049 0.438 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -6.398 -2.854 1.354 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -4.036 -2.028 1.046 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.186 -1.052 0.335 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.447 -0.923 -1.122 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.402 -0.722 1.540 0.00 0.00 -0.024 C ATOM 18 C LIG 1 3.231 0.057 0.542 0.00 0.00 +0.146 C ATOM 19 N LIG 1 4.662 -0.091 0.786 0.00 0.00 -0.263 N ATOM 20 C LIG 1 5.517 0.256 -0.248 0.00 0.00 +0.404 C ATOM 21 O LIG 1 5.135 0.520 -1.381 0.00 0.00 -0.226 OA ATOM 22 C LIG 1 5.095 -0.130 2.180 0.00 0.00 +0.115 C ATOM 23 C LIG 1 4.378 -1.230 2.963 0.00 0.00 +0.046 C ATOM 24 C LIG 1 2.917 -1.310 2.635 0.00 0.00 -0.020 C BRANCH 20 25 ATOM 25 O LIG 1 6.818 0.267 0.140 0.00 0.00 -0.445 OA BRANCH 25 26 ATOM 26 C LIG 1 7.877 0.599 -0.794 0.00 0.00 +0.107 C ATOM 27 C LIG 1 7.949 -0.414 -1.942 0.00 0.00 +0.055 C ATOM 28 C LIG 1 7.741 2.038 -1.304 0.00 0.00 +0.055 C ATOM 29 C LIG 1 9.168 0.494 0.033 0.00 0.00 +0.055 C ENDBRANCH 25 26 ENDBRANCH 20 25 ENDBRANCH 4 17 BRANCH 2 30 ATOM 30 N LIG 1 -2.021 1.379 0.676 0.00 0.00 -0.280 N ATOM 31 H LIG 1 -2.992 1.117 0.522 0.00 0.00 +0.155 HD ATOM 32 C LIG 1 -1.687 2.707 0.770 0.00 0.00 +0.250 C ATOM 33 O LIG 1 -0.590 3.197 0.994 0.00 0.00 -0.270 OA BRANCH 32 34 ATOM 34 C LIG 1 -2.869 3.592 0.588 0.00 0.00 +0.065 A ATOM 35 C LIG 1 -3.403 3.953 -0.720 0.00 0.00 +0.073 A ATOM 36 C LIG 1 -4.480 4.760 -0.788 0.00 0.00 +0.083 A ATOM 37 C LIG 1 -5.117 5.279 0.448 0.00 0.00 +0.249 A ATOM 38 O LIG 1 -6.102 6.003 0.397 0.00 0.00 -0.268 OA ATOM 39 N LIG 1 -4.533 4.891 1.628 0.00 0.00 -0.328 N ATOM 40 H LIG 1 -4.958 5.258 2.472 0.00 0.00 +0.168 HD ATOM 41 C LIG 1 -3.433 4.073 1.707 0.00 0.00 +0.099 A BRANCH 35 42 ATOM 42 C LIG 1 -2.719 3.426 -1.943 0.00 0.00 +0.418 C ATOM 43 F LIG 1 -2.811 2.074 -2.022 0.00 0.00 -0.166 F ATOM 44 F LIG 1 -1.405 3.746 -1.985 0.00 0.00 -0.166 F ATOM 45 F LIG 1 -3.271 3.910 -3.087 0.00 0.00 -0.166 F ENDBRANCH 35 42 ENDBRANCH 32 34 ENDBRANCH 2 30 TORSDOF 7