REMARK Name = BDB058256 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 5.413 0.405 -1.200 0.00 0.00 +0.035 A ATOM 2 C LIG 1 4.654 0.934 -2.255 0.00 0.00 +0.027 A ATOM 3 C LIG 1 3.312 0.598 -2.355 0.00 0.00 -0.038 A ATOM 4 C LIG 1 2.344 1.001 -3.425 0.00 0.00 +0.040 C ATOM 5 C LIG 1 0.994 0.666 -2.769 0.00 0.00 +0.067 C ATOM 6 C LIG 1 1.271 -0.489 -1.792 0.00 0.00 +0.216 C ATOM 7 C LIG 1 0.303 -0.527 -0.641 0.00 0.00 +0.273 C ATOM 8 O LIG 1 0.086 0.345 0.188 0.00 0.00 -0.270 OA ATOM 9 N LIG 1 -0.309 -1.736 -0.703 0.00 0.00 -0.195 N ATOM 10 C LIG 1 0.133 -2.446 -1.762 0.00 0.00 +0.411 C ATOM 11 O LIG 1 -0.235 -3.563 -2.088 0.00 0.00 -0.226 OA ATOM 12 O LIG 1 1.101 -1.755 -2.430 0.00 0.00 -0.429 OA ATOM 13 C LIG 1 2.711 -0.265 -1.433 0.00 0.00 +0.008 A ATOM 14 C LIG 1 3.448 -0.804 -0.391 0.00 0.00 +0.010 A ATOM 15 C LIG 1 4.801 -0.458 -0.276 0.00 0.00 +0.024 A ENDROOT BRANCH 1 20 ATOM 16 C LIG 1 10.049 0.708 0.399 0.00 0.00 +0.129 C ATOM 17 N LIG 1 8.923 1.006 -0.454 0.00 0.00 -0.302 N ATOM 18 H LIG 1 8.816 1.976 -0.717 0.00 0.00 +0.150 HD ATOM 19 C LIG 1 7.734 0.322 -0.266 0.00 0.00 +0.304 C ATOM 20 N LIG 1 6.767 0.791 -1.128 0.00 0.00 -0.269 N ATOM 21 H LIG 1 7.107 1.381 -1.872 0.00 0.00 +0.156 HD ATOM 22 O LIG 1 7.617 -0.575 0.558 0.00 0.00 -0.253 OA ENDBRANCH 1 20 BRANCH 9 23 ATOM 23 C LIG 1 -1.385 -2.130 0.175 0.00 0.00 +0.215 C BRANCH 23 24 ATOM 24 C LIG 1 -2.676 -1.463 -0.326 0.00 0.00 +0.234 C ATOM 25 N LIG 1 -3.677 -1.188 0.601 0.00 0.00 -0.284 N ATOM 26 C LIG 1 -5.038 -0.831 0.110 0.00 0.00 +0.180 C ATOM 27 C LIG 1 -5.125 0.651 -0.297 0.00 0.00 +0.036 C ATOM 28 C LIG 1 -4.391 1.596 0.662 0.00 0.00 +0.037 C ATOM 29 C LIG 1 -4.704 1.299 2.109 0.00 0.00 -0.043 A ATOM 30 C LIG 1 -4.250 0.107 2.722 0.00 0.00 -0.027 A ATOM 31 C LIG 1 -4.599 -0.147 4.059 0.00 0.00 +0.005 A ATOM 32 C LIG 1 -5.392 0.752 4.772 0.00 0.00 +0.000 A ATOM 33 C LIG 1 -5.838 1.922 4.165 0.00 0.00 +0.000 A ATOM 34 C LIG 1 -5.500 2.194 2.840 0.00 0.00 +0.004 A ATOM 35 C LIG 1 -3.350 -0.882 2.004 0.00 0.00 +0.143 C ATOM 36 O LIG 1 -2.837 -1.230 -1.526 0.00 0.00 -0.274 OA BRANCH 26 37 ATOM 37 C LIG 1 -5.671 -1.746 -0.969 0.00 0.00 +0.408 C ATOM 38 F LIG 1 -5.438 -3.053 -0.698 0.00 0.00 -0.169 F ATOM 39 F LIG 1 -7.022 -1.584 -0.959 0.00 0.00 -0.169 F ATOM 40 F LIG 1 -5.265 -1.493 -2.228 0.00 0.00 -0.169 F ENDBRANCH 26 37 ENDBRANCH 23 24 ENDBRANCH 9 23 TORSDOF 4