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 O7 o M 3 2 1 1.540 111.208 -180.000 -0.475054 5 C20 c M 4 3 2 1.228 75.472 106.773 0.450664 6 C17 c S 5 4 3 1.556 117.700 10.263 0.407649 7 O6 o E 6 5 4 1.227 117.153 -17.073 -0.449246 8 N5 n M 5 4 3 1.354 124.893 -168.492 -0.238863 9 C21 c3 3 8 5 4 1.469 119.756 5.019 0.122378 10 C23 c3 3 9 8 5 1.530 113.072 95.428 -0.126161 11 H24 hc E 10 9 8 1.094 111.621 60.257 0.043585 12 H25 hc E 10 9 8 1.094 109.695 179.771 0.043585 13 H26 hc E 10 9 8 1.094 110.788 -60.702 0.043585 14 H21 h1 E 9 8 5 1.094 107.447 -142.179 0.026428 15 H22 h1 E 9 8 5 1.090 106.798 -26.349 0.026428 16 C16 c3 M 8 5 4 1.465 120.322 176.235 -0.071168 17 H17 h1 E 16 8 5 1.092 108.250 158.696 0.095199 18 H18 h1 E 16 8 5 1.097 111.048 -83.072 0.095199 19 C15 c3 M 16 8 5 1.514 109.976 39.843 -0.153101 20 H15 h1 E 19 16 8 1.088 110.640 -175.713 0.114280 21 H16 h1 E 19 16 8 1.096 110.584 64.280 0.114280 22 N4 n M 19 16 8 1.476 110.242 -57.153 -0.221928 23 C12 c M 22 19 16 1.441 115.678 -146.141 0.687997 24 O5 o E 23 22 19 1.229 119.220 1.372 -0.548098 25 N3 n M 23 22 19 1.345 116.410 -179.079 -0.545711 26 H2 hn E 25 23 22 1.018 120.145 -0.058 0.346233 27 C10 c3 M 25 23 22 1.452 120.633 179.881 -0.127114 28 C11 ca S 27 25 23 1.530 113.599 -77.091 0.221832 29 C13 ca B 28 27 25 1.398 120.481 126.523 -0.166570 30 C18 ca B 29 28 27 1.398 120.353 179.025 -0.114552 31 C22 ca B 30 29 28 1.396 120.074 0.066 -0.142814 32 C19 ca B 31 30 29 1.397 119.777 0.061 -0.114552 33 C14 ca S 32 31 30 1.395 120.169 -0.192 -0.166570 34 H14 ha E 33 32 31 1.087 120.020 -179.828 0.121404 35 H20 ha E 32 31 30 1.086 120.098 179.997 0.116318 36 H23 ha E 31 30 29 1.086 120.074 179.860 0.115854 37 H19 ha E 30 29 28 1.086 119.736 179.716 0.116318 38 H13 ha E 29 28 27 1.087 119.746 -1.701 0.121404 39 H12 h1 E 27 25 23 1.095 108.941 43.917 0.122074 40 C9 c M 27 25 23 1.541 106.649 161.948 0.609052 41 O4 o E 40 27 25 1.229 121.428 21.631 -0.490771 42 N2 n M 40 27 25 1.359 114.794 -159.989 -0.456873 43 H1 hn E 42 40 27 1.013 119.227 1.246 0.257841 44 C4 cy M 42 40 27 1.432 122.777 -175.291 -0.037547 45 H5 h1 E 44 42 40 1.092 108.010 -1.689 0.107738 46 C1 cy M 44 42 40 1.563 119.528 129.164 0.216356 47 H3 h2 E 46 44 42 1.091 116.821 -114.434 0.048421 48 S1 ss M 46 44 42 1.839 117.806 22.515 -0.400457 49 C2 c3 M 48 46 44 1.895 89.834 130.026 0.350153 50 C6 c3 3 49 48 46 1.530 109.249 -153.584 -0.405570 51 H6 hc E 50 49 48 1.094 111.414 55.025 0.105831 52 H7 hc E 50 49 48 1.095 107.756 173.882 0.105831 53 H8 hc E 50 49 48 1.094 111.486 -66.682 0.105831 54 C7 c3 3 49 48 46 1.538 108.293 86.028 -0.405570 55 H9 hc E 54 49 48 1.092 110.408 58.484 0.105831 56 H10 hc E 54 49 48 1.094 109.171 177.715 0.105831 57 H11 hc E 54 49 48 1.093 111.987 -62.752 0.105831 58 C3 c3 M 49 48 46 1.573 105.280 -34.435 0.199732 59 C8 c B 58 49 48 1.570 111.862 151.286 0.623498 60 O2 o E 59 58 49 1.260 113.430 70.935 -0.685683 61 O3 o E 59 58 49 1.252 117.571 -108.065 -0.685683 62 H4 h1 E 58 49 48 1.096 108.612 -90.557 0.003036 63 N1 n M 58 49 48 1.466 106.724 24.279 -0.394112 64 C5 c M 63 58 49 1.381 125.858 -117.908 0.504253 65 O1 o M 64 63 58 1.213 132.052 -35.650 -0.483993 LOOP N4 C17 C14 C11 C5 C4 N1 C1 IMPROPER C17 N5 C20 O7 C20 N4 C17 O6 C16 C21 N5 C20 C12 C15 N4 C17 N4 N3 C12 O5 C12 C10 N3 H2 C10 C13 C11 C14 C11 C18 C13 H13 C13 C22 C18 H19 C18 C19 C22 H23 C22 C14 C19 H20 C11 C19 C14 H14 C10 N2 C9 O4 C9 C4 N2 H1 C3 O2 C8 O3 C3 C5 N1 C1 C4 N1 C5 O1 DONE STOP