REMARK Name = BDB020165 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.615 2.571 -0.238 0.00 0.00 -0.017 A ATOM 2 C LIG 1 -0.061 1.940 0.883 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.507 0.675 1.279 0.00 0.00 +0.038 A ATOM 4 C LIG 1 -1.539 0.045 0.574 0.00 0.00 +0.018 A ATOM 5 C LIG 1 -2.095 0.643 -0.567 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -1.631 1.913 -0.952 0.00 0.00 +0.014 A ENDROOT BRANCH 1 9 ATOM 7 C LIG 1 1.376 2.900 -2.444 0.00 0.00 +0.044 C ATOM 8 C LIG 1 0.793 4.073 -1.701 0.00 0.00 -0.040 A ATOM 9 C LIG 1 -0.146 3.899 -0.657 0.00 0.00 -0.015 A ATOM 10 C LIG 1 -0.649 5.037 0.005 0.00 0.00 +0.011 A ATOM 11 C LIG 1 -0.243 6.320 -0.362 0.00 0.00 +0.039 A ATOM 12 C LIG 1 0.669 6.475 -1.395 0.00 0.00 +0.124 A ATOM 13 F LIG 1 1.057 7.705 -1.754 0.00 0.00 -0.205 F ATOM 14 C LIG 1 1.186 5.371 -2.064 0.00 0.00 +0.042 A ENDBRANCH 1 9 BRANCH 3 15 ATOM 15 C LIG 1 0.136 0.029 2.453 0.00 0.00 +0.244 C ATOM 16 N LIG 1 0.231 -1.346 2.405 0.00 0.00 -0.307 N ATOM 17 H LIG 1 0.038 -1.816 1.530 0.00 0.00 +0.149 HD ATOM 18 O LIG 1 0.581 0.713 3.367 0.00 0.00 -0.270 OA BRANCH 16 19 ATOM 19 C LIG 1 0.972 -2.082 3.403 0.00 0.00 +0.140 C BRANCH 19 20 ATOM 20 C LIG 1 2.386 -2.326 2.943 0.00 0.00 -0.025 A ATOM 21 C LIG 1 3.374 -1.345 3.136 0.00 0.00 +0.046 A ATOM 22 C LIG 1 4.674 -1.560 2.680 0.00 0.00 +0.162 A ATOM 23 F LIG 1 5.602 -0.613 2.876 0.00 0.00 -0.202 F ATOM 24 C LIG 1 5.009 -2.737 2.027 0.00 0.00 +0.193 A ATOM 25 F LIG 1 6.261 -2.936 1.590 0.00 0.00 -0.199 F ATOM 26 C LIG 1 4.035 -3.706 1.825 0.00 0.00 +0.162 A ATOM 27 F LIG 1 4.342 -4.847 1.192 0.00 0.00 -0.202 F ATOM 28 C LIG 1 2.729 -3.510 2.273 0.00 0.00 +0.046 A ENDBRANCH 19 20 ENDBRANCH 16 19 ENDBRANCH 3 15 BRANCH 5 29 ATOM 29 C LIG 1 -3.210 -0.013 -1.358 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 N LIG 1 -3.180 -1.462 -1.294 0.00 0.00 -0.313 N ATOM 31 C LIG 1 -2.182 -2.280 -1.841 0.00 0.00 +0.204 A ATOM 32 N LIG 1 -1.081 -1.958 -2.418 0.00 0.00 -0.268 NA ATOM 33 H LIG 1 -0.994 -0.942 -2.436 0.00 0.00 +0.190 HD ATOM 34 N LIG 1 -2.644 -3.579 -1.615 0.00 0.00 -0.320 N ATOM 35 C LIG 1 -1.999 -4.750 -2.159 0.00 0.00 +0.152 C ATOM 36 C LIG 1 -3.895 -3.541 -1.021 0.00 0.00 +0.106 A ATOM 37 C LIG 1 -4.219 -2.256 -0.819 0.00 0.00 +0.107 A ENDBRANCH 29 30 ENDBRANCH 5 29 TORSDOF 6