0 0 2 This is a remark line molecule.res U00 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 O2 o M 3 2 1 1.540 111.208 -180.000 -0.650885 5 C4 c M 4 3 2 1.199 51.897 -63.842 0.924044 6 C5 c3 3 5 4 3 1.514 121.418 -62.923 -0.490183 7 H5 hc E 6 5 4 1.085 112.122 124.901 0.135166 8 H6 hc E 6 5 4 1.086 110.678 -114.505 0.135166 9 H7 hc E 6 5 4 1.079 107.878 4.554 0.135166 10 N1 ns M 5 4 3 1.361 120.914 118.432 -0.788736 11 H1 hn E 10 5 4 0.999 115.027 -1.850 0.386665 12 C1 c3 M 10 5 4 1.443 128.576 -173.801 0.034311 13 H2 h1 E 12 10 5 1.082 109.105 -29.934 0.079311 14 C3 c B 12 10 5 1.532 106.639 -148.802 0.775175 15 O1 o E 14 12 10 1.202 119.686 -49.480 -0.576262 16 N2 ns B 14 12 10 1.343 116.765 129.414 -0.636709 17 H8 hn E 16 14 12 0.993 118.738 10.792 0.378746 18 C6 c3 3 16 14 12 1.451 121.257 174.547 -0.074211 19 H9 h1 E 18 16 14 1.079 109.486 48.532 0.089202 20 H10 h1 E 18 16 14 1.082 108.659 167.639 0.089202 21 H11 h1 E 18 16 14 1.084 111.619 -71.906 0.089202 22 C2 c3 M 12 10 5 1.537 111.093 91.109 -0.184025 23 H3 h1 E 22 12 10 1.081 109.251 -51.487 0.136885 24 H4 h1 E 22 12 10 1.081 109.083 66.985 0.136885 25 S1 ss M 22 12 10 1.826 111.147 -171.940 -0.321207 26 C7 cc M 25 22 12 1.761 101.300 -172.480 0.256290 27 C8 cc M 26 25 22 1.446 126.826 80.623 -0.449249 28 H12 ha E 27 26 25 1.071 126.906 -1.935 0.240177 29 C9 cd M 27 26 25 1.334 105.630 177.965 -0.009933 30 H13 h4 E 29 27 26 1.068 133.508 179.834 0.182780 31 O3 os M 29 27 26 1.351 110.479 -0.288 -0.223315 32 C10 cd M 31 29 27 1.342 108.151 0.253 0.116777 33 C11 c3 M 32 31 29 1.493 116.567 -179.309 -0.043915 34 H14 hc E 33 32 31 1.083 108.269 -170.950 0.033833 35 H15 hc E 33 32 31 1.086 108.364 -54.750 0.033833 36 C12 c3 M 33 32 31 1.535 113.099 66.859 0.042293 37 H16 hc E 36 33 32 1.086 109.188 -56.922 0.007137 38 H17 hc E 36 33 32 1.087 108.995 59.288 0.007137 39 C13 c3 M 36 33 32 1.529 112.407 -178.885 -0.066046 40 H18 hc E 39 36 33 1.089 109.403 -57.829 0.020132 41 H19 hc E 39 36 33 1.089 109.304 58.173 0.020132 42 C14 c3 M 39 36 33 1.529 113.116 -179.848 0.129238 43 H20 hc E 42 39 36 1.088 109.282 -57.904 -0.016697 44 H21 hc E 42 39 36 1.088 109.314 58.044 -0.016697 45 C15 c3 M 42 39 36 1.528 113.007 -179.938 -0.208853 46 H22 hc E 45 42 39 1.087 111.165 59.950 0.047345 47 H23 hc E 45 42 39 1.085 111.252 -179.982 0.047345 48 H24 hc E 45 42 39 1.086 111.189 -59.904 0.047345 LOOP C10 C7 IMPROPER C5 N1 C4 O2 C1 C4 N1 H1 C1 N2 C3 O1 C3 C6 N2 H8 C8 C10 C7 S1 C7 C9 C8 H12 C8 H13 C9 O3 C11 C7 C10 O3 DONE STOP