REMARK Name = BDB020071 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.378 -0.342 1.097 0.00 0.00 -0.013 A ATOM 2 C LIG 1 0.047 -0.225 0.678 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -0.496 1.037 0.403 0.00 0.00 +0.038 A ATOM 4 C LIG 1 0.285 2.184 0.571 0.00 0.00 +0.018 A ATOM 5 C LIG 1 1.620 2.083 0.989 0.00 0.00 -0.029 A ATOM 6 C LIG 1 2.160 0.812 1.241 0.00 0.00 +0.013 A ENDROOT BRANCH 1 10 ATOM 7 N LIG 1 2.534 -3.741 1.127 0.00 0.00 -0.271 N ATOM 8 N LIG 1 2.990 -3.432 2.352 0.00 0.00 -0.167 NA ATOM 9 C LIG 1 2.623 -2.146 2.537 0.00 0.00 +0.173 A ATOM 10 C LIG 1 1.940 -1.647 1.386 0.00 0.00 +0.032 A ATOM 11 C LIG 1 1.896 -2.708 0.507 0.00 0.00 +0.117 A BRANCH 9 12 ATOM 12 C LIG 1 2.919 -1.393 3.808 0.00 0.00 +0.437 C ATOM 13 F LIG 1 3.896 -0.461 3.622 0.00 0.00 -0.164 F ATOM 14 F LIG 1 1.829 -0.719 4.266 0.00 0.00 -0.164 F ATOM 15 F LIG 1 3.335 -2.190 4.829 0.00 0.00 -0.164 F ENDBRANCH 9 12 BRANCH 7 17 ATOM 16 C LIG 1 4.115 -5.229 -0.037 0.00 0.00 +0.029 C ATOM 17 C LIG 1 2.744 -5.075 0.596 0.00 0.00 +0.140 C ENDBRANCH 7 17 ENDBRANCH 1 10 BRANCH 3 18 ATOM 18 C LIG 1 -1.907 1.196 -0.038 0.00 0.00 +0.245 C ATOM 19 N LIG 1 -2.402 0.199 -0.848 0.00 0.00 -0.304 N ATOM 20 H LIG 1 -1.803 -0.546 -1.167 0.00 0.00 +0.150 HD ATOM 21 O LIG 1 -2.549 2.184 0.297 0.00 0.00 -0.270 OA BRANCH 19 22 ATOM 22 C LIG 1 -3.782 0.194 -1.294 0.00 0.00 +0.107 C BRANCH 22 23 ATOM 23 C LIG 1 -4.685 -0.542 -0.315 0.00 0.00 -0.025 A ATOM 24 C LIG 1 -4.275 -1.712 0.350 0.00 0.00 +0.028 A ATOM 25 C LIG 1 -5.135 -2.366 1.236 0.00 0.00 +0.076 A ATOM 26 CL LIG 1 -4.600 -3.801 2.023 0.00 0.00 -0.081 Cl ATOM 27 C LIG 1 -6.409 -1.859 1.468 0.00 0.00 +0.142 A ATOM 28 F LIG 1 -7.250 -2.475 2.312 0.00 0.00 -0.204 F ATOM 29 C LIG 1 -6.836 -0.702 0.825 0.00 0.00 +0.040 A ATOM 30 C LIG 1 -5.979 -0.047 -0.062 0.00 0.00 +0.008 A ENDBRANCH 22 23 BRANCH 22 31 ATOM 31 C LIG 1 -3.814 -0.340 -2.708 0.00 0.00 +0.014 C ATOM 32 C LIG 1 -3.542 -1.786 -3.062 0.00 0.00 +0.006 C ATOM 33 C LIG 1 -4.915 -1.209 -3.276 0.00 0.00 +0.006 C ENDBRANCH 22 31 ENDBRANCH 19 22 ENDBRANCH 3 18 BRANCH 5 34 ATOM 34 C LIG 1 2.462 3.330 1.145 0.00 0.00 +0.141 C BRANCH 34 35 ATOM 35 N LIG 1 2.791 3.907 -0.149 0.00 0.00 -0.315 N ATOM 36 C LIG 1 3.104 5.237 -0.273 0.00 0.00 +0.089 C ATOM 37 N LIG 1 2.807 6.177 0.553 0.00 0.00 -0.289 NA ATOM 38 H LIG 1 3.173 7.074 0.218 0.00 0.00 +0.188 HD ATOM 39 C LIG 1 3.919 5.479 -1.521 0.00 0.00 +0.072 C ATOM 40 C LIG 1 3.784 4.138 -2.239 0.00 0.00 +0.026 C ATOM 41 C LIG 1 3.540 3.124 -1.121 0.00 0.00 +0.107 C ENDBRANCH 34 35 ENDBRANCH 5 34 TORSDOF 9