REMARK Name = BDB037793 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 0.317 -0.273 -0.284 0.00 0.00 +0.086 A ATOM 2 C LIG 1 -1.076 -0.336 -0.008 0.00 0.00 +0.027 A ATOM 3 C LIG 1 -2.319 -0.012 -0.763 0.00 0.00 +0.083 C ATOM 4 C LIG 1 -3.415 0.462 0.208 0.00 0.00 +0.172 C ATOM 5 C LIG 1 -3.552 -0.466 1.433 0.00 0.00 +0.242 C ATOM 6 N LIG 1 -2.371 -0.991 2.005 0.00 0.00 -0.254 N ATOM 7 O LIG 1 -4.656 -0.579 1.979 0.00 0.00 -0.273 OA ATOM 8 C LIG 1 -1.174 -0.874 1.268 0.00 0.00 +0.135 A ATOM 9 N LIG 1 0.125 -1.253 1.605 0.00 0.00 -0.218 N ATOM 10 N LIG 1 1.024 -0.623 0.804 0.00 0.00 -0.168 NA ENDROOT BRANCH 3 11 ATOM 11 C LIG 1 -2.042 0.944 -1.909 0.00 0.00 -0.037 A ATOM 12 C LIG 1 -2.337 0.530 -3.223 0.00 0.00 +0.007 A ATOM 13 C LIG 1 -2.127 1.382 -4.309 0.00 0.00 +0.038 A ATOM 14 C LIG 1 -1.627 2.657 -4.094 0.00 0.00 +0.123 A ATOM 15 F LIG 1 -1.428 3.473 -5.136 0.00 0.00 -0.205 F ATOM 16 C LIG 1 -1.331 3.097 -2.812 0.00 0.00 +0.038 A ATOM 17 C LIG 1 -1.536 2.245 -1.725 0.00 0.00 +0.007 A ENDBRANCH 3 11 BRANCH 9 18 ATOM 18 C LIG 1 0.607 -2.261 2.478 0.00 0.00 +0.067 A ATOM 19 C LIG 1 1.855 -2.098 3.094 0.00 0.00 +0.028 A ATOM 20 C LIG 1 2.354 -3.097 3.931 0.00 0.00 +0.002 A ATOM 21 C LIG 1 1.623 -4.269 4.132 0.00 0.00 +0.000 A ATOM 22 C LIG 1 0.399 -4.450 3.486 0.00 0.00 +0.002 A ATOM 23 C LIG 1 -0.106 -3.452 2.651 0.00 0.00 +0.028 A ENDBRANCH 9 18 BRANCH 4 24 ATOM 24 N LIG 1 -3.202 1.804 0.780 0.00 0.00 -0.299 N ATOM 25 H LIG 1 -2.407 1.928 1.397 0.00 0.00 +0.150 HD ATOM 26 C LIG 1 -4.105 2.829 0.874 0.00 0.00 +0.245 C ATOM 27 O LIG 1 -3.857 3.830 1.536 0.00 0.00 -0.270 OA BRANCH 26 28 ATOM 28 C LIG 1 -5.368 2.729 0.124 0.00 0.00 +0.037 A ATOM 29 C LIG 1 -5.396 3.095 -1.225 0.00 0.00 +0.025 A ATOM 30 C LIG 1 -6.590 2.979 -1.953 0.00 0.00 +0.056 A ATOM 31 C LIG 1 -7.739 2.497 -1.301 0.00 0.00 +0.012 A ATOM 32 C LIG 1 -7.700 2.142 0.052 0.00 0.00 +0.001 A ATOM 33 C LIG 1 -6.511 2.257 0.770 0.00 0.00 +0.013 A BRANCH 30 34 ATOM 34 C LIG 1 -6.637 3.315 -3.424 0.00 0.00 +0.417 C ATOM 35 F LIG 1 -7.781 3.962 -3.782 0.00 0.00 -0.166 F ATOM 36 F LIG 1 -6.577 2.200 -4.204 0.00 0.00 -0.166 F ATOM 37 F LIG 1 -5.612 4.113 -3.830 0.00 0.00 -0.166 F ENDBRANCH 30 34 ENDBRANCH 26 28 ENDBRANCH 4 24 BRANCH 6 38 ATOM 38 C LIG 1 -2.467 -1.375 3.418 0.00 0.00 +0.112 C ATOM 39 C LIG 1 -3.276 -2.644 3.671 0.00 0.00 +0.025 C ENDBRANCH 6 38 BRANCH 1 40 ATOM 40 C LIG 1 1.026 0.138 -1.547 0.00 0.00 +0.162 C BRANCH 40 42 ATOM 41 C LIG 1 3.031 -0.559 -2.765 0.00 0.00 +0.241 C ATOM 42 N LIG 1 2.338 -0.460 -1.595 0.00 0.00 -0.306 N ATOM 43 H LIG 1 2.845 -0.494 -0.713 0.00 0.00 +0.149 HD ATOM 44 O LIG 1 2.534 -0.296 -3.857 0.00 0.00 -0.271 OA BRANCH 41 46 ATOM 45 C LIG 1 5.226 -0.951 -3.733 0.00 0.00 +0.019 C ATOM 46 C LIG 1 4.456 -1.011 -2.631 0.00 0.00 +0.021 C BRANCH 46 47 ATOM 47 C LIG 1 4.963 -1.562 -1.323 0.00 0.00 +0.125 C BRANCH 47 48 ATOM 48 N LIG 1 4.942 -0.574 -0.244 0.00 0.00 -0.288 NA ATOM 49 C LIG 1 5.897 0.548 -0.374 0.00 0.00 +0.083 C ATOM 50 C LIG 1 7.375 0.078 -0.362 0.00 0.00 +0.178 C ATOM 51 O LIG 1 7.711 -0.643 0.835 0.00 0.00 -0.377 OA ATOM 52 C LIG 1 6.736 -1.648 1.160 0.00 0.00 +0.178 C ATOM 53 C LIG 1 5.568 1.295 0.925 0.00 0.00 +0.023 C ATOM 54 C LIG 1 5.163 0.188 1.907 0.00 0.00 +0.023 C ATOM 55 C LIG 1 5.285 -1.106 1.090 0.00 0.00 +0.083 C ENDBRANCH 47 48 ENDBRANCH 46 47 ENDBRANCH 41 46 ENDBRANCH 40 42 ENDBRANCH 1 40 TORSDOF 11