REMARK Name = BDB050378 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 -0.025 -1.086 -1.122 0.00 0.00 -0.491 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 5.770 -0.621 1.431 0.00 0.00 +0.144 A ATOM 3 C LIG 1 4.993 -1.674 2.115 0.00 0.00 +0.351 A ATOM 4 O LIG 1 5.466 -2.379 2.999 0.00 0.00 -0.244 OA ATOM 5 O LIG 1 3.681 -1.861 1.683 0.00 0.00 -0.421 OA ATOM 6 C LIG 1 3.145 -1.133 0.605 0.00 0.00 +0.143 A ATOM 7 C LIG 1 3.903 -0.171 -0.048 0.00 0.00 +0.019 A ATOM 8 C LIG 1 3.330 0.524 -1.113 0.00 0.00 +0.015 A ATOM 9 C LIG 1 2.014 0.248 -1.510 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.263 -0.725 -0.846 0.00 0.00 +0.124 A ATOM 11 C LIG 1 1.837 -1.418 0.221 0.00 0.00 +0.092 A ATOM 12 C LIG 1 5.257 0.087 0.411 0.00 0.00 +0.033 A BRANCH 2 13 ATOM 13 C LIG 1 7.128 -0.292 1.906 0.00 0.00 +0.346 C ATOM 14 O LIG 1 7.429 -0.130 3.078 0.00 0.00 -0.245 OA BRANCH 13 16 ATOM 15 C LIG 1 9.323 0.121 1.218 0.00 0.00 +0.280 C ATOM 16 O LIG 1 7.975 -0.176 0.847 0.00 0.00 -0.464 OA ENDBRANCH 13 16 ENDBRANCH 2 13 ENDBRANCH 1 10 BRANCH 1 17 ATOM 17 C LIG 1 -0.710 -0.467 -2.216 0.00 0.00 +0.235 C BRANCH 17 18 ATOM 18 C LIG 1 -1.349 0.860 -1.808 0.00 0.00 +0.100 C BRANCH 18 19 ATOM 19 C LIG 1 -2.541 0.672 -0.937 0.00 0.00 +0.086 A ATOM 20 C LIG 1 -2.616 0.474 0.425 0.00 0.00 +0.126 A ATOM 21 C LIG 1 -1.635 0.359 1.518 0.00 0.00 +0.088 C ATOM 22 O LIG 1 -3.935 0.352 0.758 0.00 0.00 -0.440 OA ATOM 23 C LIG 1 -4.602 0.487 -0.432 0.00 0.00 +0.228 A ATOM 24 N LIG 1 -3.811 0.682 -1.470 0.00 0.00 -0.214 NA BRANCH 23 25 ATOM 25 C LIG 1 -6.060 0.400 -0.386 0.00 0.00 +0.037 A ATOM 26 C LIG 1 -6.799 0.538 -1.574 0.00 0.00 +0.016 A ATOM 27 C LIG 1 -8.194 0.459 -1.561 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -8.856 0.241 -0.360 0.00 0.00 +0.123 A ATOM 29 F LIG 1 -10.193 0.166 -0.347 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -8.150 0.101 0.828 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -6.754 0.180 0.816 0.00 0.00 +0.016 A ENDBRANCH 23 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 7