0 0 2 This is a remark line molecule.res MOL 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 1.523 111.21 .0 .00000 4 O4 o M 3 2 1 1.540 111.208 -180.000 -0.762902 5 C8 c M 4 3 2 1.261 42.128 -32.149 0.770874 6 O5 o E 5 4 3 1.246 129.589 -51.640 -0.762902 7 C3 c3 M 5 4 3 1.573 112.997 127.237 0.138652 8 H2 h1 E 7 5 4 1.097 106.307 -61.136 0.091861 9 N1 n M 7 5 4 1.475 115.776 -179.234 -0.436209 10 C5 c B 9 7 5 1.393 126.833 111.282 0.673340 11 O3 o E 10 9 7 1.210 130.974 -37.741 -0.565870 12 C4 cy B 10 9 7 1.542 92.238 139.182 -0.441489 13 H3 hc E 12 10 9 1.092 113.385 -121.217 0.165047 14 H4 hc E 12 10 9 1.091 116.347 108.869 0.165047 15 C2 cy M 9 7 5 1.460 120.695 -127.167 0.214300 16 H1 h2 E 15 9 7 1.091 117.569 92.910 0.051382 17 S1 s6 M 15 9 7 1.844 101.236 -25.291 0.815404 18 O1 o E 17 15 9 1.477 111.684 150.220 -0.556533 19 O2 o E 17 15 9 1.483 108.300 -76.019 -0.556533 20 C1 c3 M 17 15 9 1.890 92.033 34.282 0.243852 21 C7 c3 3 20 17 15 1.532 107.570 83.877 -0.731676 22 H7 hc E 21 20 17 1.091 111.329 58.512 0.217786 23 H8 hc E 21 20 17 1.093 108.166 178.810 0.217786 24 H9 hc E 21 20 17 1.092 111.559 -62.848 0.217786 25 C6 c3 M 20 17 15 1.540 111.163 -151.582 -0.774649 26 H5 h1 E 25 20 17 1.092 105.424 163.154 0.228830 27 H6 h1 E 25 20 17 1.091 110.286 45.179 0.228830 28 N2 na M 25 20 17 1.458 115.466 -77.222 0.765790 29 N3 nc M 28 25 20 1.351 120.655 82.892 -0.243449 30 N4 nd M 29 28 25 1.310 107.599 -179.892 -0.349716 31 C10 cd M 30 29 28 1.363 108.898 -0.168 0.106867 32 H11 h4 E 31 30 29 1.079 122.138 -179.525 0.112863 33 C9 cc M 31 30 29 1.377 108.568 0.024 -0.511791 34 H10 h4 E 33 31 30 1.078 133.007 -179.383 0.267420 LOOP C1 C3 C2 C4 C9 N2 IMPROPER C3 O4 C8 O5 C3 C5 N1 C2 C4 N1 C5 O3 C6 C9 N2 N3 C9 H11 C10 N4 C10 H10 C9 N2 DONE STOP