REMARK Name = BDB010276 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.281 -0.976 1.479 0.00 0.00 +0.149 A ATOM 2 C LIG 1 -0.020 -1.361 1.165 0.00 0.00 +0.128 A ATOM 3 C LIG 1 -0.333 -2.707 1.074 0.00 0.00 +0.184 A ATOM 4 N LIG 1 -1.645 -2.897 0.763 0.00 0.00 -0.211 NA ATOM 5 C LIG 1 -2.184 -1.694 0.703 0.00 0.00 +0.130 A ATOM 6 N LIG 1 0.538 -3.704 1.280 0.00 0.00 -0.200 NA ATOM 7 C LIG 1 1.755 -3.260 1.613 0.00 0.00 +0.242 A ATOM 8 N LIG 1 -1.217 -0.720 0.914 0.00 0.00 -0.318 N ATOM 9 N LIG 1 2.154 -1.971 1.727 0.00 0.00 -0.205 NA ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.644 -1.407 0.439 0.00 0.00 +0.120 C ATOM 11 N LIG 1 -3.789 -0.822 -0.905 0.00 0.00 -0.307 NA ATOM 12 H LIG 1 -3.491 -1.533 -1.577 0.00 0.00 +0.123 HD ATOM 13 C LIG 1 -5.186 -0.479 -1.182 0.00 0.00 +0.081 C ATOM 14 C LIG 1 -6.102 -1.698 -1.092 0.00 0.00 +0.015 C ATOM 15 C LIG 1 -5.969 -2.388 0.261 0.00 0.00 +0.003 C ATOM 16 C LIG 1 -4.503 -2.678 0.574 0.00 0.00 +0.026 C ENDBRANCH 5 10 BRANCH 1 17 ATOM 17 N LIG 1 1.687 0.352 1.554 0.00 0.00 -0.324 N ATOM 18 H LIG 1 1.259 0.910 0.825 0.00 0.00 +0.148 HD BRANCH 17 20 ATOM 19 C LIG 1 3.258 2.038 2.262 0.00 0.00 +0.028 C ATOM 20 C LIG 1 3.124 0.626 1.687 0.00 0.00 +0.072 C BRANCH 20 21 ATOM 21 C LIG 1 3.842 0.464 0.340 0.00 0.00 +0.009 C ATOM 22 C LIG 1 3.499 1.393 -0.860 0.00 0.00 +0.005 C ATOM 23 C LIG 1 4.965 1.226 -1.310 0.00 0.00 +0.001 C ATOM 24 C LIG 1 5.313 0.941 0.167 0.00 0.00 +0.005 C ENDBRANCH 20 21 ENDBRANCH 17 20 ENDBRANCH 1 17 BRANCH 7 25 ATOM 25 C LIG 1 2.790 -4.322 1.878 0.00 0.00 +0.375 C ATOM 26 O LIG 1 2.630 -5.532 1.841 0.00 0.00 -0.242 OA BRANCH 25 27 ATOM 27 O LIG 1 4.011 -3.821 2.183 0.00 0.00 -0.475 OA ATOM 28 H LIG 1 4.558 -4.620 2.327 0.00 0.00 +0.296 HD ENDBRANCH 25 27 ENDBRANCH 7 25 BRANCH 8 29 ATOM 29 C LIG 1 -1.458 0.718 0.979 0.00 0.00 +0.159 C BRANCH 29 30 ATOM 30 C LIG 1 -0.882 1.505 -0.179 0.00 0.00 -0.028 A ATOM 31 C LIG 1 -0.811 0.996 -1.483 0.00 0.00 +0.006 A ATOM 32 C LIG 1 -0.276 1.764 -2.522 0.00 0.00 +0.013 A ATOM 33 C LIG 1 0.183 3.066 -2.286 0.00 0.00 +0.055 A ATOM 34 C LIG 1 0.097 3.585 -0.987 0.00 0.00 +0.013 A ATOM 35 C LIG 1 -0.439 2.818 0.050 0.00 0.00 +0.006 A BRANCH 33 36 ATOM 36 C LIG 1 0.793 3.882 -3.399 0.00 0.00 +0.417 C ATOM 37 F LIG 1 2.146 3.744 -3.454 0.00 0.00 -0.166 F ATOM 38 F LIG 1 0.559 5.218 -3.269 0.00 0.00 -0.166 F ATOM 39 F LIG 1 0.329 3.542 -4.634 0.00 0.00 -0.166 F ENDBRANCH 33 36 ENDBRANCH 29 30 ENDBRANCH 8 29 TORSDOF 9