REMARK Name = BDB050379 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 O LIG 1 0.088 0.650 0.933 0.00 0.00 -0.491 OA ENDROOT BRANCH 1 10 ATOM 2 C LIG 1 5.848 -0.465 -1.533 0.00 0.00 +0.211 C ATOM 3 C LIG 1 5.029 0.182 -2.613 0.00 0.00 +0.327 C ATOM 4 O LIG 1 5.486 0.427 -3.727 0.00 0.00 -0.249 OA ATOM 5 O LIG 1 3.724 0.523 -2.278 0.00 0.00 -0.425 OA ATOM 6 C LIG 1 3.136 0.070 -1.082 0.00 0.00 +0.138 A ATOM 7 C LIG 1 3.737 -0.935 -0.329 0.00 0.00 -0.003 A ATOM 8 C LIG 1 3.087 -1.391 0.818 0.00 0.00 +0.011 A ATOM 9 C LIG 1 1.869 -0.820 1.198 0.00 0.00 +0.046 A ATOM 10 C LIG 1 1.280 0.201 0.441 0.00 0.00 +0.124 A ATOM 11 C LIG 1 1.919 0.644 -0.715 0.00 0.00 +0.092 A ATOM 12 C LIG 1 5.034 -1.518 -0.795 0.00 0.00 +0.065 C BRANCH 2 13 ATOM 13 C LIG 1 6.435 0.560 -0.599 0.00 0.00 +0.321 C ATOM 14 O LIG 1 6.147 1.748 -0.580 0.00 0.00 -0.250 OA BRANCH 13 16 ATOM 15 C LIG 1 7.966 0.874 1.149 0.00 0.00 +0.280 C ATOM 16 O LIG 1 7.350 -0.028 0.227 0.00 0.00 -0.467 OA ENDBRANCH 13 16 ENDBRANCH 2 13 ENDBRANCH 1 10 BRANCH 1 17 ATOM 17 C LIG 1 -0.556 1.758 0.296 0.00 0.00 +0.235 C BRANCH 17 18 ATOM 18 C LIG 1 -1.441 1.309 -0.867 0.00 0.00 +0.100 C BRANCH 18 19 ATOM 19 C LIG 1 -2.663 0.594 -0.408 0.00 0.00 +0.086 A ATOM 20 C LIG 1 -2.835 -0.734 -0.079 0.00 0.00 +0.126 A ATOM 21 C LIG 1 -1.960 -1.917 -0.032 0.00 0.00 +0.088 C ATOM 22 O LIG 1 -4.139 -0.908 0.289 0.00 0.00 -0.440 OA ATOM 23 C LIG 1 -4.699 0.337 0.160 0.00 0.00 +0.228 A ATOM 24 N LIG 1 -3.856 1.264 -0.254 0.00 0.00 -0.214 NA BRANCH 23 25 ATOM 25 C LIG 1 -6.117 0.461 0.491 0.00 0.00 +0.037 A ATOM 26 C LIG 1 -6.748 1.712 0.374 0.00 0.00 +0.016 A ATOM 27 C LIG 1 -8.102 1.861 0.684 0.00 0.00 +0.039 A ATOM 28 C LIG 1 -8.832 0.760 1.112 0.00 0.00 +0.123 A ATOM 29 F LIG 1 -10.130 0.902 1.409 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -8.233 -0.488 1.237 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -6.878 -0.637 0.927 0.00 0.00 +0.016 A ENDBRANCH 23 25 ENDBRANCH 18 19 ENDBRANCH 17 18 ENDBRANCH 1 17 TORSDOF 7