REMARK Name = BDB019938 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -0.955 -0.961 -0.069 0.00 0.00 +0.140 A ATOM 2 C LIG 1 -2.274 -0.464 -0.058 0.00 0.00 +0.028 A ATOM 3 C LIG 1 -2.833 -0.017 1.147 0.00 0.00 +0.017 A ATOM 4 C LIG 1 -2.096 -0.049 2.339 0.00 0.00 -0.029 A ATOM 5 C LIG 1 -0.773 -0.509 2.305 0.00 0.00 +0.022 A ATOM 6 C LIG 1 -0.184 -0.946 1.105 0.00 0.00 +0.079 A ENDROOT BRANCH 2 7 ATOM 7 C LIG 1 -3.081 -0.398 -1.262 0.00 0.00 +0.035 A ATOM 8 C LIG 1 -4.306 -1.046 -1.603 0.00 0.00 +0.173 A ATOM 9 N LIG 1 -4.707 -0.683 -2.840 0.00 0.00 -0.167 NA ATOM 10 N LIG 1 -3.762 0.174 -3.262 0.00 0.00 -0.273 N ATOM 11 C LIG 1 -3.880 0.771 -4.571 0.00 0.00 +0.172 C ATOM 12 C LIG 1 -2.766 0.378 -2.356 0.00 0.00 +0.117 A BRANCH 8 13 ATOM 13 C LIG 1 -5.069 -2.019 -0.746 0.00 0.00 +0.437 C ATOM 14 F LIG 1 -6.098 -2.629 -1.392 0.00 0.00 -0.164 F ATOM 15 F LIG 1 -5.601 -1.415 0.352 0.00 0.00 -0.164 F ATOM 16 F LIG 1 -4.263 -3.015 -0.281 0.00 0.00 -0.164 F ENDBRANCH 8 13 ENDBRANCH 2 7 BRANCH 6 17 ATOM 17 C LIG 1 1.255 -1.345 1.176 0.00 0.00 +0.248 C ATOM 18 N LIG 1 1.953 -1.378 -0.007 0.00 0.00 -0.304 N ATOM 19 H LIG 1 1.478 -1.102 -0.858 0.00 0.00 +0.150 HD ATOM 20 O LIG 1 1.767 -1.590 2.264 0.00 0.00 -0.270 OA BRANCH 18 21 ATOM 21 C LIG 1 3.392 -1.533 -0.054 0.00 0.00 +0.107 C BRANCH 21 22 ATOM 22 C LIG 1 4.109 -0.200 0.118 0.00 0.00 -0.027 A ATOM 23 C LIG 1 3.627 0.994 -0.454 0.00 0.00 +0.011 A ATOM 24 C LIG 1 4.307 2.208 -0.281 0.00 0.00 -0.015 A ATOM 25 C LIG 1 3.807 3.469 -0.918 0.00 0.00 +0.047 C ATOM 26 C LIG 1 5.491 2.214 0.456 0.00 0.00 +0.126 A ATOM 27 F LIG 1 6.172 3.358 0.618 0.00 0.00 -0.205 F ATOM 28 C LIG 1 5.987 1.051 1.032 0.00 0.00 +0.039 A ATOM 29 C LIG 1 5.299 -0.151 0.866 0.00 0.00 +0.008 A ENDBRANCH 21 22 BRANCH 21 30 ATOM 30 C LIG 1 3.739 -2.282 -1.321 0.00 0.00 +0.014 C ATOM 31 C LIG 1 5.002 -2.065 -2.125 0.00 0.00 +0.006 C ATOM 32 C LIG 1 3.670 -1.669 -2.702 0.00 0.00 +0.006 C ENDBRANCH 21 30 ENDBRANCH 18 21 ENDBRANCH 6 17 BRANCH 1 33 ATOM 33 O LIG 1 -0.419 -1.418 -1.252 0.00 0.00 -0.491 OA BRANCH 33 35 ATOM 34 C LIG 1 -0.231 -3.231 -2.797 0.00 0.00 +0.048 C ATOM 35 C LIG 1 -0.699 -2.820 -1.413 0.00 0.00 +0.226 C ENDBRANCH 33 35 ENDBRANCH 1 33 BRANCH 4 36 ATOM 36 C LIG 1 -2.711 0.447 3.630 0.00 0.00 +0.144 C BRANCH 36 37 ATOM 37 N LIG 1 -2.865 1.891 3.608 0.00 0.00 -0.278 N ATOM 38 C LIG 1 -3.784 2.546 4.380 0.00 0.00 +0.278 C ATOM 39 N LIG 1 -4.892 2.146 4.872 0.00 0.00 -0.253 NA ATOM 40 H LIG 1 -5.083 1.191 4.581 0.00 0.00 +0.191 HD ATOM 41 O LIG 1 -3.385 3.824 4.632 0.00 0.00 -0.464 OA ATOM 42 C LIG 1 -2.201 4.074 3.868 0.00 0.00 +0.251 C ATOM 43 C LIG 1 -1.659 2.699 3.538 0.00 0.00 +0.151 C ENDBRANCH 36 37 ENDBRANCH 4 36 TORSDOF 10