REMARK Name = BDB020134 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.303 1.425 0.293 0.00 0.00 +0.038 A ATOM 2 C LIG 1 -1.185 2.479 0.544 0.00 0.00 +0.021 A ATOM 3 C LIG 1 -2.493 2.452 0.035 0.00 0.00 -0.015 A ATOM 4 C LIG 1 -2.896 1.341 -0.730 0.00 0.00 +0.014 A ATOM 5 C LIG 1 -2.011 0.288 -1.017 0.00 0.00 -0.026 A ATOM 6 C LIG 1 -0.708 0.350 -0.506 0.00 0.00 +0.018 A ENDROOT BRANCH 3 7 ATOM 7 C LIG 1 -3.424 3.553 0.314 0.00 0.00 +0.012 A ATOM 8 C LIG 1 -3.813 4.507 -0.644 0.00 0.00 +0.151 A ATOM 9 N LIG 1 -4.701 5.511 -0.351 0.00 0.00 -0.250 NA ATOM 10 C LIG 1 -5.192 5.587 0.903 0.00 0.00 +0.111 A ATOM 11 C LIG 1 -4.855 4.703 1.906 0.00 0.00 +0.020 A ATOM 12 C LIG 1 -3.965 3.678 1.605 0.00 0.00 +0.012 A BRANCH 8 13 ATOM 13 C LIG 1 -3.262 4.449 -2.065 0.00 0.00 +0.435 C ATOM 14 F LIG 1 -1.900 4.381 -2.119 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -3.598 5.526 -2.835 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -3.715 3.360 -2.760 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 3 7 BRANCH 1 19 ATOM 17 N LIG 1 1.607 0.271 1.231 0.00 0.00 -0.304 N ATOM 18 H LIG 1 1.054 -0.571 1.173 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 1.071 1.481 0.856 0.00 0.00 +0.245 C ATOM 20 O LIG 1 1.638 2.558 0.979 0.00 0.00 -0.270 OA BRANCH 17 21 ATOM 21 C LIG 1 3.005 0.114 1.579 0.00 0.00 +0.107 C BRANCH 21 28 ATOM 22 C LIG 1 3.550 -2.838 -2.532 0.00 0.00 +0.047 C ATOM 23 C LIG 1 4.098 -1.819 -1.580 0.00 0.00 -0.015 A ATOM 24 C LIG 1 5.357 -1.257 -1.784 0.00 0.00 +0.126 A ATOM 25 F LIG 1 6.106 -1.651 -2.825 0.00 0.00 -0.205 F ATOM 26 C LIG 1 5.862 -0.288 -0.925 0.00 0.00 +0.039 A ATOM 27 C LIG 1 5.096 0.144 0.158 0.00 0.00 +0.008 A ATOM 28 C LIG 1 3.813 -0.386 0.388 0.00 0.00 -0.027 A ATOM 29 C LIG 1 3.327 -1.367 -0.499 0.00 0.00 +0.011 A ENDBRANCH 21 28 BRANCH 21 30 ATOM 30 C LIG 1 3.085 -0.754 2.813 0.00 0.00 +0.014 C ATOM 31 C LIG 1 4.172 -1.774 3.075 0.00 0.00 +0.006 C ATOM 32 C LIG 1 2.761 -2.232 2.821 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 17 21 ENDBRANCH 1 19 BRANCH 5 33 ATOM 33 C LIG 1 -2.451 -0.881 -1.876 0.00 0.00 +0.158 C BRANCH 33 34 ATOM 34 N LIG 1 -2.362 -2.147 -1.138 0.00 0.00 -0.326 N ATOM 35 C LIG 1 -1.242 -2.991 -1.214 0.00 0.00 +0.126 A ATOM 36 N LIG 1 -0.189 -2.820 -1.953 0.00 0.00 -0.283 NA ATOM 37 H LIG 1 -0.260 -1.987 -2.533 0.00 0.00 +0.188 HD ATOM 38 C LIG 1 -1.197 -4.233 -0.366 0.00 0.00 +0.048 A ATOM 39 C LIG 1 -2.236 -4.491 0.442 0.00 0.00 +0.043 A ATOM 40 C LIG 1 -3.367 -3.601 0.501 0.00 0.00 +0.140 A ATOM 41 F LIG 1 -4.382 -3.896 1.335 0.00 0.00 -0.204 F ATOM 42 C LIG 1 -3.395 -2.499 -0.259 0.00 0.00 +0.126 A ENDBRANCH 33 34 ENDBRANCH 5 33 TORSDOF 8