CELL 7.689 11.219 20.406 90. 90. 90 N6 7 -0.17130 0.13766 0.63142 N10 7 0.46711 -0.17988 0.74586 N14 7 0.11703 0.51388 0.65226 N15 7 -0.23619 0.32953 0.60144 N19 7 -0.28985 0.55415 0.54174 C1 6 -0.12456 0.25304 0.62809 C2 6 0.03801 0.29120 0.65242 C3 6 0.15189 0.20804 0.67714 C4 6 0.10673 0.08852 0.67920 C5 6 -0.05896 0.06204 0.65658 C7 6 0.22706 -0.00443 0.70269 C8 6 0.19224 -0.12493 0.70171 C9 6 0.31256 -0.20702 0.72344 C11 6 0.50493 -0.06292 0.74642 C12 6 0.39416 0.02434 0.72630 C13 6 0.08208 0.41512 0.65240 C16 6 -0.40481 0.29525 0.57487 C17 6 -0.50795 0.39285 0.55320 C18 6 -0.43902 0.49031 0.51511 C20 6 -0.35529 0.65530 0.58196 C21 6 -0.23536 0.71011 0.62499 C22 6 -0.18276 0.59833 0.49054 C23 6 -0.05339 0.51717 0.46680 H3 1 0.27740 0.23681 0.69542 H5 1 -0.10097 -0.02964 0.66022 H8 1 0.06812 -0.15427 0.68144 H9 1 0.27209 -0.30003 0.72307 H11 1 0.63199 -0.03684 0.76348 H12 1 0.43180 0.11689 0.72967 H15N 1 -0.19948 0.42027 0.59993 H161 1 -0.47478 0.24798 0.61213 H162 1 -0.38307 0.23916 0.53306 H171 1 -0.61427 0.35463 0.52661 H172 1 -0.55903 0.43286 0.59862 H181 1 -0.54482 0.55302 0.50783 H182 1 -0.40446 0.45294 0.46727 H201 1 -0.46237 0.62143 0.61111 H202 1 -0.40297 0.72200 0.54857 H211 1 -0.30017 0.78093 0.65079 H212 1 -0.18823 0.64460 0.65935 H213 1 -0.12882 0.74517 0.59680 H221 1 -0.26334 0.62331 0.45021 H222 1 -0.11607 0.67765 0.50935 H231 1 0.02466 0.55999 0.42912 H232 1 0.03509 0.49295 0.50719 H233 1 -0.11217 0.43861 0.44805 rgnr 19