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 -0.526982 5 S1 s6 M 4 3 2 1.473 52.879 -105.101 0.936152 6 O5 o E 5 4 3 1.476 115.841 85.740 -0.526982 7 O6 o E 5 4 3 1.475 116.162 -134.623 -0.526982 8 O1 os M 5 4 3 1.764 97.804 -24.659 -0.264425 9 N1 n M 8 5 4 1.377 112.933 -174.561 -0.241084 10 C3 c S 9 8 5 1.364 127.253 107.673 0.672435 11 O2 o E 10 9 8 1.215 134.931 -15.136 -0.517563 12 C1 cy M 9 8 5 1.500 127.973 -110.056 0.595722 13 C4 c3 3 12 9 8 1.525 112.248 -46.591 -0.419409 14 H2 hc E 13 12 9 1.093 111.700 -48.740 0.110799 15 H3 hc E 13 12 9 1.093 110.265 -169.374 0.110799 16 H6 hc E 13 12 9 1.093 109.700 71.476 0.110799 17 C5 c3 3 12 9 8 1.522 113.962 83.425 -0.419409 18 H4 hc E 17 12 9 1.094 109.679 171.550 0.110799 19 H5 hc E 17 12 9 1.093 111.000 51.479 0.110799 20 H7 hc E 17 12 9 1.092 110.484 -68.317 0.110799 21 C2 cy M 12 9 8 1.579 84.193 -161.246 -0.463684 22 H1 h1 E 21 12 9 1.093 111.929 -104.965 0.198038 23 N2 n M 21 12 9 1.444 119.180 124.088 -0.313324 24 H8 hn E 23 21 12 1.012 118.618 -106.186 0.284337 25 C6 c M 23 21 12 1.343 121.627 81.130 0.323554 26 O3 o E 25 23 21 1.241 122.229 -2.678 -0.421199 27 C7 ce M 25 23 21 1.520 116.603 177.628 0.367367 28 C8 cc S 27 25 23 1.466 118.816 -65.051 0.130621 29 N4 nc S 28 27 25 1.386 118.152 -16.062 -0.372032 30 C11 cd B 29 28 27 1.306 110.651 -179.202 0.383319 31 S2 ss S 30 29 28 1.778 114.431 -0.243 -0.027086 32 C9 cd S 31 30 29 1.739 88.653 -0.239 -0.302358 33 H9 h4 E 32 31 30 1.080 121.575 -178.207 0.222230 34 N6 nh B 30 29 28 1.364 124.523 176.096 -0.742952 35 H14 hn E 34 30 29 1.012 114.664 17.658 0.370407 36 H15 hn E 34 30 29 1.010 118.069 157.002 0.370407 37 N3 n2 M 27 25 23 1.289 121.786 118.896 -0.425266 38 O7 os M 37 27 25 1.402 110.814 -9.944 -0.073685 39 C10 c3 M 38 37 27 1.441 110.872 153.005 -0.055694 40 H10 h1 E 39 38 37 1.092 109.038 -18.855 0.125285 41 H11 h1 E 39 38 37 1.094 109.904 101.193 0.125285 42 C12 cc M 39 38 37 1.503 107.708 -139.537 0.099691 43 C13 cd S 42 39 38 1.380 123.143 -117.039 -0.453713 44 H12 ha E 43 42 39 1.084 118.971 0.801 0.189979 45 N5 na M 42 39 38 1.360 117.609 62.464 0.188053 46 O8 oh S 45 42 39 1.385 119.818 5.120 -0.445525 47 H16 ho E 46 45 42 1.003 105.884 -86.841 0.382090 48 C14 cc M 45 42 39 1.373 123.116 179.358 -0.219178 49 H13 h4 E 48 45 42 1.081 115.974 -179.356 0.194125 50 C16 cd M 48 45 42 1.365 119.072 0.526 0.135440 51 O9 oh S 50 48 45 1.351 123.287 179.760 -0.469022 52 H17 ho E 51 50 48 0.987 101.859 -179.891 0.364835 53 C15 c M 50 48 45 1.458 121.670 -0.191 0.462170 54 O10 o M 53 50 48 1.261 117.682 179.973 -0.558783 LOOP C2 C3 C9 C8 C15 C13 IMPROPER C3 C1 N1 O1 C2 N1 C3 O2 C6 C2 N2 H8 C7 N2 C6 O3 C6 C8 C7 N3 C9 C7 C8 N4 N4 N6 C11 S2 C8 H9 C9 S2 C11 H14 N6 H15 C10 C13 C12 N5 C15 C12 C13 H12 C12 C14 N5 O8 C16 H13 C14 N5 C15 C14 C16 O9 C13 C16 C15 O10 DONE STOP