REMARK Name = BDB064884 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.169 -4.181 3.749 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -3.946 -3.700 3.006 0.00 0.00 -0.043 A ATOM 3 C LIG 1 -4.026 -2.767 1.930 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -5.266 -2.260 1.523 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -5.378 -1.351 0.479 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -4.255 -0.901 -0.208 0.00 0.00 -0.013 A ATOM 7 C LIG 1 -2.960 -1.362 0.138 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -1.893 -0.811 -0.660 0.00 0.00 +0.175 A ATOM 9 O LIG 1 -0.613 -1.201 -0.355 0.00 0.00 -0.445 OA ATOM 10 C LIG 1 0.316 -1.065 -1.433 0.00 0.00 +0.412 C ATOM 11 C LIG 1 0.223 0.344 -2.061 0.00 0.00 +0.285 C ATOM 12 O LIG 1 -1.109 0.718 -2.410 0.00 0.00 -0.473 OA ATOM 13 C LIG 1 -2.113 0.135 -1.684 0.00 0.00 +0.167 A ATOM 14 C LIG 1 -3.409 0.552 -1.999 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -4.461 0.022 -1.246 0.00 0.00 +0.016 A ATOM 16 C LIG 1 -2.853 -2.327 1.243 0.00 0.00 -0.006 A ATOM 17 C LIG 1 -1.634 -2.886 1.709 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -1.555 -3.800 2.762 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -2.706 -4.205 3.408 0.00 0.00 +0.004 A ENDROOT BRANCH 11 20 ATOM 20 C LIG 1 0.903 1.472 -1.284 0.00 0.00 +0.004 A ATOM 21 C LIG 1 0.730 1.647 0.099 0.00 0.00 +0.056 A ATOM 22 C LIG 1 1.470 2.612 0.784 0.00 0.00 +0.159 A ATOM 23 C LIG 1 2.366 3.433 0.102 0.00 0.00 +0.158 A ATOM 24 C LIG 1 2.512 3.311 -1.276 0.00 0.00 +0.049 A ATOM 25 C LIG 1 1.782 2.337 -1.964 0.00 0.00 +0.011 A BRANCH 22 26 ATOM 26 O LIG 1 1.345 2.740 2.140 0.00 0.00 -0.503 OA ATOM 27 H LIG 1 0.587 2.211 2.435 0.00 0.00 +0.292 HD ENDBRANCH 22 26 BRANCH 23 28 ATOM 28 O LIG 1 3.115 4.340 0.798 0.00 0.00 -0.503 OA ATOM 29 H LIG 1 3.556 4.928 0.163 0.00 0.00 +0.292 HD ENDBRANCH 23 28 ENDBRANCH 11 20 BRANCH 14 30 ATOM 30 C LIG 1 -3.685 1.570 -3.099 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -4.184 2.892 -2.510 0.00 0.00 +0.012 C ATOM 32 C LIG 1 -4.666 1.034 -4.147 0.00 0.00 +0.012 C ENDBRANCH 14 30 BRANCH 10 33 ATOM 33 O LIG 1 1.629 -1.308 -0.896 0.00 0.00 -0.417 OA BRANCH 33 34 ATOM 34 C LIG 1 2.627 -1.390 -1.799 0.00 0.00 +0.335 C ATOM 35 O LIG 1 2.490 -1.587 -2.995 0.00 0.00 -0.246 OA BRANCH 34 36 ATOM 36 C LIG 1 3.936 -1.083 -1.183 0.00 0.00 +0.092 C ATOM 37 C LIG 1 4.047 -0.576 0.056 0.00 0.00 +0.015 C BRANCH 37 38 ATOM 38 C LIG 1 5.294 -0.057 0.630 0.00 0.00 -0.021 A ATOM 39 C LIG 1 5.216 1.113 1.403 0.00 0.00 +0.057 A ATOM 40 C LIG 1 6.369 1.652 1.959 0.00 0.00 +0.159 A ATOM 41 C LIG 1 7.596 1.025 1.772 0.00 0.00 +0.158 A ATOM 42 C LIG 1 7.690 -0.143 1.029 0.00 0.00 +0.050 A ATOM 43 C LIG 1 6.535 -0.687 0.457 0.00 0.00 +0.012 A BRANCH 40 44 ATOM 44 O LIG 1 6.336 2.806 2.693 0.00 0.00 -0.503 OA ATOM 45 H LIG 1 5.415 3.130 2.700 0.00 0.00 +0.292 HD ENDBRANCH 40 44 BRANCH 41 46 ATOM 46 O LIG 1 8.725 1.559 2.325 0.00 0.00 -0.503 OA ATOM 47 H LIG 1 8.410 2.354 2.799 0.00 0.00 +0.292 HD ENDBRANCH 41 46 ENDBRANCH 37 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 10 33 TORSDOF 10