REMARK Name = BDB011393 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 1.875 0.366 -0.649 0.00 0.00 +0.057 A ATOM 2 N LIG 1 0.958 -0.377 0.100 0.00 0.00 -0.338 N ATOM 3 C LIG 1 -0.221 0.309 0.075 0.00 0.00 +0.057 A ATOM 4 C LIG 1 -1.588 0.135 0.626 0.00 0.00 +0.159 C ATOM 5 N LIG 1 -2.217 1.381 0.110 0.00 0.00 -0.250 N ATOM 6 C LIG 1 -1.309 2.209 -0.598 0.00 0.00 +0.254 C ATOM 7 O LIG 1 -1.456 3.343 -1.022 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 -0.074 1.472 -0.617 0.00 0.00 +0.061 A ATOM 9 C LIG 1 1.237 1.532 -1.081 0.00 0.00 +0.041 A ENDROOT BRANCH 5 10 ATOM 10 C LIG 1 -3.546 1.719 0.325 0.00 0.00 +0.104 A ATOM 11 C LIG 1 -4.327 2.408 -0.788 0.00 0.00 +0.273 A ATOM 12 O LIG 1 -3.898 2.438 -1.940 0.00 0.00 -0.266 OA ATOM 13 N LIG 1 -5.590 2.898 -0.436 0.00 0.00 -0.315 N ATOM 14 C LIG 1 -6.362 3.607 -1.444 0.00 0.00 +0.152 C ATOM 15 C LIG 1 -6.198 2.568 0.762 0.00 0.00 +0.108 A ATOM 16 C LIG 1 -5.567 1.822 1.676 0.00 0.00 +0.059 A ATOM 17 CL LIG 1 -6.332 1.387 3.154 0.00 0.00 -0.082 Cl ATOM 18 C LIG 1 -4.207 1.401 1.453 0.00 0.00 +0.050 A ENDBRANCH 5 10 BRANCH 4 19 ATOM 19 C LIG 1 -2.285 -1.122 0.136 0.00 0.00 -0.018 A ATOM 20 C LIG 1 -2.663 -2.115 1.053 0.00 0.00 +0.045 A ATOM 21 C LIG 1 -3.299 -3.275 0.612 0.00 0.00 +0.142 A ATOM 22 F LIG 1 -3.638 -4.201 1.521 0.00 0.00 -0.204 F ATOM 23 C LIG 1 -3.572 -3.469 -0.739 0.00 0.00 +0.076 A ATOM 24 CL LIG 1 -4.354 -4.902 -1.281 0.00 0.00 -0.081 Cl ATOM 25 C LIG 1 -3.207 -2.492 -1.663 0.00 0.00 +0.023 A ATOM 26 C LIG 1 -2.567 -1.327 -1.228 0.00 0.00 +0.007 A ENDBRANCH 4 19 BRANCH 1 30 ATOM 27 C LIG 1 5.816 -0.682 -1.520 0.00 0.00 +0.321 A ATOM 28 N LIG 1 5.624 0.079 -0.432 0.00 0.00 -0.159 NA ATOM 29 C LIG 1 4.345 0.410 -0.165 0.00 0.00 +0.230 A ATOM 30 C LIG 1 3.260 -0.007 -0.922 0.00 0.00 +0.078 A ATOM 31 C LIG 1 3.594 -0.766 -2.024 0.00 0.00 +0.131 A ATOM 32 N LIG 1 4.854 -1.128 -2.339 0.00 0.00 -0.202 NA BRANCH 27 34 ATOM 33 C LIG 1 8.092 -0.536 -1.019 0.00 0.00 +0.280 C ATOM 34 O LIG 1 7.089 -1.077 -1.868 0.00 0.00 -0.466 OA ENDBRANCH 27 34 BRANCH 29 35 ATOM 35 O LIG 1 4.079 1.187 0.951 0.00 0.00 -0.479 OA ATOM 36 C LIG 1 5.248 1.652 1.615 0.00 0.00 +0.279 C ENDBRANCH 29 35 ENDBRANCH 1 30 BRANCH 2 37 ATOM 37 C LIG 1 1.153 -1.651 0.794 0.00 0.00 +0.081 C ATOM 38 C LIG 1 2.308 -1.653 1.795 0.00 0.00 +0.030 C ATOM 39 C LIG 1 1.230 -2.834 -0.169 0.00 0.00 +0.030 C ENDBRANCH 2 37 TORSDOF 6