REMARK Name = BDB047255 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.265 -1.082 0.249 0.00 0.00 +0.082 C ENDROOT BRANCH 1 2 ATOM 2 C LIG 1 -1.176 -1.574 1.368 0.00 0.00 +0.232 C BRANCH 2 3 ATOM 3 O LIG 1 -1.839 -0.491 2.021 0.00 0.00 -0.492 OA BRANCH 3 11 ATOM 4 C LIG 1 -6.775 -0.180 -3.140 0.00 0.00 +0.068 C ATOM 5 C LIG 1 -6.684 0.037 -1.624 0.00 0.00 +0.203 C ATOM 6 O LIG 1 -5.370 -0.413 -1.241 0.00 0.00 -0.474 OA ATOM 7 C LIG 1 -4.840 0.111 -0.091 0.00 0.00 +0.129 A ATOM 8 C LIG 1 -5.433 1.144 0.640 0.00 0.00 -0.005 A ATOM 9 C LIG 1 -4.820 1.571 1.823 0.00 0.00 +0.011 A ATOM 10 C LIG 1 -3.620 0.992 2.244 0.00 0.00 +0.046 A ATOM 11 C LIG 1 -3.014 -0.025 1.499 0.00 0.00 +0.124 A ATOM 12 C LIG 1 -6.715 1.775 0.186 0.00 0.00 +0.043 C ATOM 13 C LIG 1 -3.631 -0.461 0.327 0.00 0.00 +0.091 A ATOM 14 C LIG 1 -6.916 1.519 -1.300 0.00 0.00 +0.064 C BRANCH 5 15 ATOM 15 C LIG 1 -7.771 -0.850 -0.986 0.00 0.00 +0.349 C ATOM 16 O LIG 1 -8.970 -0.603 -1.009 0.00 0.00 -0.246 OA BRANCH 15 17 ATOM 17 O LIG 1 -7.276 -1.973 -0.406 0.00 0.00 -0.478 OA ATOM 18 H LIG 1 -6.296 -1.987 -0.471 0.00 0.00 +0.295 HD ENDBRANCH 15 17 ENDBRANCH 5 15 ENDBRANCH 3 11 ENDBRANCH 2 3 ENDBRANCH 1 2 BRANCH 1 19 ATOM 19 C LIG 1 0.847 -0.169 0.770 0.00 0.00 +0.232 C BRANCH 19 20 ATOM 20 O LIG 1 1.618 0.283 -0.354 0.00 0.00 -0.490 OA BRANCH 20 21 ATOM 21 C LIG 1 2.928 -0.121 -0.299 0.00 0.00 +0.139 A ATOM 22 C LIG 1 3.435 -0.967 -1.294 0.00 0.00 +0.086 A ATOM 23 CL LIG 1 2.432 -1.559 -2.571 0.00 0.00 -0.080 Cl ATOM 24 C LIG 1 4.773 -1.365 -1.258 0.00 0.00 +0.070 A ATOM 25 C LIG 1 5.611 -0.886 -0.248 0.00 0.00 +0.130 A ATOM 26 C LIG 1 5.111 -0.032 0.742 0.00 0.00 +0.050 A ATOM 27 C LIG 1 3.772 0.364 0.707 0.00 0.00 +0.051 A BRANCH 25 28 ATOM 28 O LIG 1 6.905 -1.360 -0.242 0.00 0.00 -0.456 OA BRANCH 28 29 ATOM 29 C LIG 1 7.917 -0.452 -0.020 0.00 0.00 +0.129 A ATOM 30 C LIG 1 8.919 -0.829 0.880 0.00 0.00 +0.049 A ATOM 31 C LIG 1 10.001 0.022 1.113 0.00 0.00 +0.042 A ATOM 32 C LIG 1 10.078 1.233 0.433 0.00 0.00 +0.124 A ATOM 33 F LIG 1 11.128 2.040 0.646 0.00 0.00 -0.205 F ATOM 34 C LIG 1 9.094 1.607 -0.480 0.00 0.00 +0.042 A ATOM 35 C LIG 1 8.010 0.758 -0.715 0.00 0.00 +0.049 A ENDBRANCH 28 29 ENDBRANCH 25 28 ENDBRANCH 20 21 ENDBRANCH 19 20 ENDBRANCH 1 19 TORSDOF 10