0 0 2 This is a remark line molecule.res SUS INT 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 C2 ca M 3 2 1 1.540 111.208 180.000 -0.17826 5 C1 ca M 4 3 2 1.386 86.897 -162.979 -0.04968 6 H1 ha E 5 4 3 1.072 120.119 25.599 0.16937 7 C14 ca M 5 4 3 1.379 119.724 -154.668 -0.01913 8 Cl1 cl E 7 5 4 1.742 119.676 -179.857 -0.07512 9 C13 ca M 7 5 4 1.385 120.634 0.368 -0.06683 10 H9 ha E 9 7 5 1.073 120.065 179.750 0.15651 11 C12 ca M 9 7 5 1.380 119.705 0.192 -0.17242 12 H8 ha E 11 9 7 1.076 120.047 179.373 0.14949 13 C11 ca M 11 9 7 1.388 119.964 -0.551 0.10869 14 N1 n M 13 11 9 1.388 121.155 179.940 -0.47390 15 H7 hn E 14 13 11 0.995 120.171 3.766 0.35663 16 C10 c M 14 13 11 1.362 124.462 -166.513 0.84152 17 O2 o E 16 14 13 1.183 123.299 172.521 -0.58069 18 O1 os M 16 14 13 1.338 115.711 -5.631 -0.37631 19 C3 c3 M 18 16 14 1.416 124.597 -18.703 0.31502 20 C9 c3 3 19 18 16 1.543 105.801 -88.841 0.61999 21 F1 f E 20 19 18 1.321 110.093 61.264 -0.22897 22 F2 f E 20 19 18 1.319 110.789 -179.348 -0.23078 23 F3 f E 20 19 18 1.311 111.555 -58.566 -0.21487 24 C4 c1 M 19 18 16 1.470 107.200 154.846 -0.19720 25 C5 c1 M 24 19 18 1.186 179.487 175.816 0.01368 26 C6 cx M 25 24 19 1.449 179.653 -134.955 -0.07873 27 H2 hc E 26 25 24 1.075 114.014 53.214 0.10860 28 C7 cx M 26 25 24 1.507 119.531 -91.769 -0.10741 29 H3 hc E 28 26 25 1.075 116.902 141.614 0.08023 30 H4 hc E 28 26 25 1.074 117.386 -0.494 0.08282 31 C8 cx M 28 26 25 1.489 60.373 -109.125 -0.11247 32 H5 hc E 31 28 26 1.075 118.643 -106.493 0.07951 33 H6 hc E 31 28 26 1.075 118.172 107.331 0.08074 LOOP C11 C2 C3 C2 C8 C6 IMPROPER C3 C11 C2 C1 C2 C14 C1 H1 C1 C13 C14 Cl1 C12 C14 C13 H9 C11 C13 C12 H8 C12 C2 C11 N1 C10 C11 N1 H7 N1 O2 C10 O1 DONE STOP