0 0 2 This is a remark line molecule.res U02 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 C14 c3 M 3 2 1 1.540 111.208 -180.000 -0.228738 5 H25 hc E 4 3 2 1.086 175.909 -50.762 0.051193 6 H26 hc E 4 3 2 1.087 68.234 -49.984 0.051193 7 H27 hc E 4 3 2 1.086 74.131 66.895 0.051193 8 C13 c3 M 4 3 2 1.528 70.862 -173.357 0.117073 9 H23 hc E 8 4 3 1.088 109.316 -125.623 -0.013971 10 H24 hc E 8 4 3 1.088 109.382 118.350 -0.013971 11 C12 c3 M 8 4 3 1.529 113.010 -3.693 -0.019120 12 H21 hc E 11 8 4 1.089 109.183 57.921 0.006667 13 H22 hc E 11 8 4 1.089 109.241 -57.852 0.006667 14 C11 c3 M 11 8 4 1.529 113.198 -179.892 0.056034 15 H19 hc E 14 11 8 1.088 109.368 -58.271 -0.008961 16 H20 hc E 14 11 8 1.086 109.653 58.228 -0.008961 17 C9 c3 M 14 11 8 1.531 112.918 179.923 -0.094816 18 H16 hc E 17 14 11 1.089 109.169 58.333 0.018614 19 H17 hc E 17 14 11 1.087 109.812 -58.610 0.018614 20 C10 c3 M 17 14 11 1.518 113.495 179.802 0.180267 21 H18 h1 E 20 17 14 1.088 110.168 -56.236 0.087544 22 O1 os M 20 17 14 1.412 109.168 64.334 -0.467891 23 C1 c3 M 22 20 17 1.393 109.453 163.090 0.402478 24 H1 h2 E 23 22 20 1.083 106.635 -144.511 0.038000 25 O2 oh S 23 22 20 1.389 111.551 95.475 -0.732640 26 H2 ho E 25 23 22 0.949 108.598 56.583 0.467577 27 C2 c3 M 23 22 20 1.534 106.558 -22.830 -0.183102 28 H3 hc E 27 23 22 1.081 108.879 114.263 0.108232 29 H4 hc E 27 23 22 1.084 111.902 -125.601 0.108232 30 C3 c3 M 27 23 22 1.535 103.787 -3.025 0.298962 31 H5 h1 E 30 27 23 1.092 108.927 -88.229 -0.007975 32 N1 n7 M 30 27 23 1.449 113.470 145.007 -0.983239 33 H6 hn E 32 30 27 1.002 109.805 -170.851 0.406641 34 C4 c3 M 32 30 27 1.453 117.215 63.741 0.357328 35 H7 h1 E 34 32 30 1.085 108.233 -58.550 0.002440 36 H8 h1 E 34 32 30 1.087 107.026 -172.549 0.002440 37 C5 c3 M 34 32 30 1.534 116.474 65.283 -0.045174 38 H9 hc E 37 34 32 1.090 109.099 55.358 0.011773 39 H10 hc E 37 34 32 1.086 110.203 -61.287 0.011773 40 C6 c3 M 37 34 32 1.531 112.292 176.947 -0.110931 41 H11 hc E 40 37 34 1.091 109.241 -57.980 0.000998 42 H12 hc E 40 37 34 1.087 109.060 57.874 0.000998 43 C7 c3 M 40 37 34 1.530 112.548 -179.854 0.037141 44 H13 hc E 43 40 37 1.087 109.605 56.791 0.042659 45 H14 hc E 43 40 37 1.085 110.113 -60.424 0.042659 46 C8 c3 M 43 40 37 1.537 114.392 177.909 -0.013009 47 H15 h1 E 46 43 40 1.082 109.444 -56.153 0.070778 48 N3 ns B 46 43 40 1.448 112.237 -177.031 -0.836364 49 C17 c B 48 46 43 1.359 128.484 89.617 0.933733 50 O4 o E 49 48 46 1.199 121.034 -171.019 -0.653173 51 C18 c3 3 49 48 46 1.516 117.706 10.588 -0.534954 52 H32 hc E 51 49 48 1.084 111.852 -58.490 0.146302 53 H33 hc E 51 49 48 1.086 110.763 62.103 0.146302 54 H34 hc E 51 49 48 1.079 107.821 -178.644 0.146302 55 H35 hn E 48 46 43 0.998 115.793 -77.433 0.397986 56 C15 c M 46 43 40 1.530 110.226 64.682 0.803264 57 O3 o E 56 46 43 1.202 120.151 67.487 -0.597437 58 N2 ns M 56 46 43 1.345 116.819 -111.390 -0.559721 59 H28 hn E 58 56 46 0.994 119.132 -8.015 0.329168 60 C16 c3 M 58 56 46 1.449 121.529 -177.835 -0.188718 61 H29 h1 E 60 58 56 1.082 108.696 -168.742 0.114546 62 H30 h1 E 60 58 56 1.081 109.843 -49.490 0.114546 63 H31 h1 E 60 58 56 1.084 111.593 70.826 0.114546 LOOP C3 C10 IMPROPER C8 C17 N3 H35 C18 N3 C17 O4 C8 N2 C15 O3 C16 C15 N2 H28 DONE STOP