REMARK Name = BDB064886 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -5.310 -1.379 -4.739 0.00 0.00 +0.044 C ATOM 2 C LIG 1 -4.446 -0.677 -3.719 0.00 0.00 -0.043 A ATOM 3 C LIG 1 -4.012 -1.316 -2.519 0.00 0.00 -0.014 A ATOM 4 C LIG 1 -4.382 -2.638 -2.246 0.00 0.00 +0.009 A ATOM 5 C LIG 1 -3.976 -3.288 -1.089 0.00 0.00 +0.009 A ATOM 6 C LIG 1 -3.178 -2.649 -0.145 0.00 0.00 -0.013 A ATOM 7 C LIG 1 -2.754 -1.310 -0.341 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -1.931 -0.780 0.719 0.00 0.00 +0.172 A ATOM 9 O LIG 1 -1.499 0.519 0.589 0.00 0.00 -0.472 OA ATOM 10 C LIG 1 -0.992 1.104 1.795 0.00 0.00 +0.285 C ATOM 11 C LIG 1 -0.030 0.130 2.496 0.00 0.00 +0.412 C ATOM 12 O LIG 1 -0.738 -1.066 2.843 0.00 0.00 -0.446 OA ATOM 13 C LIG 1 -1.554 -1.545 1.847 0.00 0.00 +0.171 A ATOM 14 C LIG 1 -2.012 -2.854 2.008 0.00 0.00 +0.001 A ATOM 15 C LIG 1 -2.817 -3.385 0.996 0.00 0.00 +0.016 A ATOM 16 C LIG 1 -3.193 -0.630 -1.570 0.00 0.00 -0.006 A ATOM 17 C LIG 1 -2.861 0.707 -1.913 0.00 0.00 +0.009 A ATOM 18 C LIG 1 -3.284 1.333 -3.087 0.00 0.00 +0.001 A ATOM 19 C LIG 1 -4.074 0.643 -3.986 0.00 0.00 +0.004 A ENDROOT BRANCH 10 20 ATOM 20 C LIG 1 -0.337 2.436 1.457 0.00 0.00 +0.004 A ATOM 21 C LIG 1 0.314 2.637 0.226 0.00 0.00 +0.056 A ATOM 22 C LIG 1 0.967 3.834 -0.026 0.00 0.00 +0.159 A ATOM 23 C LIG 1 0.974 4.853 0.920 0.00 0.00 +0.158 A ATOM 24 C LIG 1 0.329 4.684 2.139 0.00 0.00 +0.049 A ATOM 25 C LIG 1 -0.322 3.474 2.407 0.00 0.00 +0.011 A BRANCH 22 26 ATOM 26 O LIG 1 1.620 4.001 -1.214 0.00 0.00 -0.503 OA ATOM 27 H LIG 1 1.988 4.907 -1.160 0.00 0.00 +0.292 HD ENDBRANCH 22 26 BRANCH 23 28 ATOM 28 O LIG 1 1.638 6.006 0.606 0.00 0.00 -0.503 OA ATOM 29 H LIG 1 1.579 6.606 1.370 0.00 0.00 +0.292 HD ENDBRANCH 23 28 ENDBRANCH 10 20 BRANCH 14 30 ATOM 30 C LIG 1 -1.635 -3.700 3.218 0.00 0.00 +0.017 C ATOM 31 C LIG 1 -0.726 -4.864 2.815 0.00 0.00 +0.012 C ATOM 32 C LIG 1 -2.870 -4.206 3.971 0.00 0.00 +0.012 C ENDBRANCH 14 30 BRANCH 11 33 ATOM 33 O LIG 1 1.097 -0.181 1.658 0.00 0.00 -0.417 OA BRANCH 33 34 ATOM 34 C LIG 1 2.244 0.458 1.982 0.00 0.00 +0.335 C ATOM 35 O LIG 1 2.472 1.084 3.003 0.00 0.00 -0.246 OA BRANCH 34 36 ATOM 36 C LIG 1 3.161 0.342 0.832 0.00 0.00 +0.092 C ATOM 37 C LIG 1 4.314 1.026 0.830 0.00 0.00 +0.015 C BRANCH 37 38 ATOM 38 C LIG 1 5.202 1.043 -0.333 0.00 0.00 -0.021 A ATOM 39 C LIG 1 4.738 1.478 -1.583 0.00 0.00 +0.057 A ATOM 40 C LIG 1 5.606 1.511 -2.673 0.00 0.00 +0.159 A ATOM 41 C LIG 1 6.935 1.116 -2.526 0.00 0.00 +0.158 A ATOM 42 C LIG 1 7.408 0.693 -1.285 0.00 0.00 +0.050 A ATOM 43 C LIG 1 6.542 0.663 -0.188 0.00 0.00 +0.012 A BRANCH 40 44 ATOM 44 O LIG 1 5.161 1.935 -3.894 0.00 0.00 -0.503 OA ATOM 45 H LIG 1 4.228 2.190 -3.818 0.00 0.00 +0.292 HD ENDBRANCH 40 44 BRANCH 41 46 ATOM 46 O LIG 1 7.771 1.154 -3.607 0.00 0.00 -0.503 OA ATOM 47 H LIG 1 8.649 0.845 -3.339 0.00 0.00 +0.292 HD ENDBRANCH 41 46 ENDBRANCH 37 38 ENDBRANCH 34 36 ENDBRANCH 33 34 ENDBRANCH 11 33 TORSDOF 10