REMARK Name = BDB064887 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.654 -3.124 2.534 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -4.806 -1.991 2.008 0.00 0.00 -0.043 A ATOM 3 C LIG 1 -3.943 -2.145 0.883 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -3.859 -3.373 0.216 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -3.034 -3.553 -0.886 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -2.241 -2.516 -1.370 0.00 0.00 -0.013 A ATOM 7 C LIG 1 -2.254 -1.242 -0.748 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -1.369 -0.274 -1.346 0.00 0.00 +0.172 A ATOM 9 O LIG 1 -1.328 0.979 -0.776 0.00 0.00 -0.472 OA ATOM 10 C LIG 1 -0.687 1.980 -1.579 0.00 0.00 +0.285 C ATOM 11 C LIG 1 0.632 1.434 -2.146 0.00 0.00 +0.412 C ATOM 12 O LIG 1 0.335 0.325 -3.006 0.00 0.00 -0.446 OA ATOM 13 C LIG 1 -0.545 -0.576 -2.456 0.00 0.00 +0.171 A ATOM 14 C LIG 1 -0.590 -1.835 -3.058 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -1.438 -2.791 -2.490 0.00 0.00 +0.016 A ATOM 16 C LIG 1 -3.147 -1.058 0.407 0.00 0.00 -0.006 A ATOM 17 C LIG 1 -3.299 0.160 1.121 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -4.145 0.312 2.221 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.894 -0.760 2.664 0.00 0.00 +0.004 A ENDROOT BRANCH 10 20 ATOM 20 C LIG 1 -0.510 3.248 -0.759 0.00 0.00 +0.004 A ATOM 21 C LIG 1 -0.473 4.498 -1.405 0.00 0.00 +0.056 A ATOM 22 C LIG 1 -0.288 5.657 -0.657 0.00 0.00 +0.159 A ATOM 23 C LIG 1 -0.140 5.589 0.725 0.00 0.00 +0.158 A ATOM 24 C LIG 1 -0.166 4.370 1.382 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -0.348 3.201 0.641 0.00 0.00 +0.011 A BRANCH 22 26 ATOM 26 O LIG 1 -0.243 6.894 -1.239 0.00 0.00 -0.503 OA ATOM 27 H LIG 1 -0.297 6.779 -2.203 0.00 0.00 +0.292 HD ENDBRANCH 22 26 BRANCH 23 28 ATOM 28 O LIG 1 0.040 6.733 1.449 0.00 0.00 -0.503 OA ATOM 29 H LIG 1 0.032 7.447 0.781 0.00 0.00 +0.292 HD ENDBRANCH 23 28 ENDBRANCH 10 20 BRANCH 14 30 ATOM 30 C LIG 1 0.276 -2.186 -4.260 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -0.550 -2.728 -5.432 0.00 0.00 +0.012 C ATOM 32 C LIG 1 1.380 -3.173 -3.869 0.00 0.00 +0.012 C ENDBRANCH 14 30 BRANCH 11 33 ATOM 33 O LIG 1 1.530 1.016 -1.104 0.00 0.00 -0.417 OA BRANCH 33 34 ATOM 34 C LIG 1 2.544 1.862 -0.829 0.00 0.00 +0.335 C ATOM 35 O LIG 1 2.810 2.893 -1.428 0.00 0.00 -0.246 OA BRANCH 34 36 ATOM 36 C LIG 1 3.335 1.402 0.331 0.00 0.00 +0.092 C ATOM 37 C LIG 1 3.078 0.278 1.019 0.00 0.00 +0.015 C BRANCH 37 38 ATOM 38 C LIG 1 3.853 -0.161 2.188 0.00 0.00 -0.021 A ATOM 39 C LIG 1 5.246 -0.022 2.261 0.00 0.00 +0.057 A ATOM 40 C LIG 1 5.937 -0.483 3.382 0.00 0.00 +0.159 A ATOM 41 C LIG 1 5.251 -1.093 4.432 0.00 0.00 +0.158 A ATOM 42 C LIG 1 3.870 -1.252 4.365 0.00 0.00 +0.050 A ATOM 43 C LIG 1 3.176 -0.792 3.242 0.00 0.00 +0.012 A BRANCH 40 44 ATOM 44 O LIG 1 7.296 -0.347 3.462 0.00 0.00 -0.503 OA ATOM 45 H LIG 1 7.620 0.096 2.664 0.00 0.00 +0.292 HD ENDBRANCH 40 44 BRANCH 41 46 ATOM 46 O LIG 1 5.947 -1.536 5.521 0.00 0.00 -0.503 OA ATOM 47 H LIG 1 5.326 -1.923 6.158 0.00 0.00 +0.292 HD ENDBRANCH 41 46 ENDBRANCH 37 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 11 33 TORSDOF 10