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 N6 nc M 3 2 1 1.540 111.208 -180.000 -0.379659 5 S2 ss M 4 3 2 1.692 108.510 -158.072 0.073044 6 C20 cc M 5 4 3 1.761 91.873 176.946 0.417921 7 N8 nh B 6 5 4 1.338 124.929 -178.643 -0.808543 8 H19 hn E 7 6 5 1.008 121.846 -7.131 0.409088 9 H20 hn E 7 6 5 1.010 118.859 -174.593 0.409088 10 N7 nd M 6 5 4 1.321 110.687 0.360 -0.372273 11 C19 cd M 10 6 5 1.374 109.961 -0.111 0.267854 12 C18 cf M 11 10 6 1.491 119.574 179.553 0.144619 13 N5 n2 S 12 11 10 1.305 114.469 -168.132 -0.213043 14 O6 oh S 13 12 11 1.346 119.699 -178.409 -0.320295 15 H22 ho E 14 13 12 1.011 106.854 1.166 0.367127 16 C17 c M 12 11 10 1.504 123.488 12.114 0.605554 17 O5 o E 16 12 11 1.253 119.241 175.680 -0.498831 18 N4 n M 16 12 11 1.347 118.645 -4.499 -0.549821 19 H18 hn E 18 16 12 1.026 116.429 -1.318 0.295120 20 C3 cy M 18 16 12 1.435 122.297 179.074 -0.049614 21 C8 c B 20 18 16 1.553 116.190 -138.399 0.558454 22 O1 o E 21 20 18 1.210 135.225 51.656 -0.421246 23 N2 n S 21 20 18 1.389 91.340 -125.457 -0.305196 24 C12 ce S 23 21 20 1.400 133.170 163.463 0.025530 25 C16 c B 24 23 21 1.546 113.423 36.559 0.687280 26 O3 o E 25 24 23 1.253 113.953 53.626 -0.643404 27 O4 o E 25 24 23 1.254 116.478 -126.560 -0.643404 28 H3 h1 E 20 18 16 1.091 108.765 -8.500 0.105451 29 C2 cy M 20 18 16 1.562 119.383 122.127 0.231423 30 H2 h2 E 29 20 18 1.092 115.568 -122.999 0.068694 31 S1 ss M 29 20 18 1.828 118.262 10.030 -0.315194 32 C14 c3 M 31 29 20 1.845 92.307 155.286 -0.066422 33 H15 h1 E 32 31 29 1.094 104.705 -170.717 0.092204 34 H16 h1 E 32 31 29 1.096 107.729 76.037 0.092204 35 C13 cf M 32 31 29 1.529 116.862 -49.552 0.083478 36 C15 cf M 35 32 31 1.461 111.391 -155.523 -0.231290 37 H17 ha E 36 35 32 1.091 114.191 28.691 0.091186 38 C10 ce M 36 35 32 1.350 132.469 -145.631 -0.097806 39 C11 c S 38 36 35 1.487 119.243 175.100 0.496100 40 O2 o E 39 38 36 1.239 127.925 7.957 -0.533104 41 C9 c3 M 38 36 35 1.504 133.091 -2.427 -0.006918 42 H12 hc E 41 38 36 1.096 108.927 -80.387 0.053371 43 H13 hc E 41 38 36 1.092 113.335 38.251 0.053371 44 C6 c3 M 41 38 36 1.543 104.202 161.408 0.152127 45 H8 h1 E 44 41 38 1.098 111.933 -100.023 -0.019483 46 H9 h1 E 44 41 38 1.094 112.587 138.022 -0.019483 47 N1 n M 44 41 38 1.469 103.602 18.759 -0.264341 48 C1 c3 M 47 44 41 1.454 122.436 173.995 0.209212 49 H1 h1 E 48 47 44 1.091 105.974 -8.908 0.042768 50 C4 c3 M 48 47 44 1.562 114.675 -129.151 -0.056157 51 H4 hc E 50 48 47 1.093 109.499 130.295 0.064607 52 H5 hc E 50 48 47 1.089 111.513 10.628 0.064607 53 C7 c3 M 50 48 47 1.525 105.950 -110.560 -0.061016 54 H10 hx E 53 50 48 1.089 111.254 81.424 0.128262 55 H11 hx E 53 50 48 1.089 115.470 -150.578 0.128262 56 N3 n4 M 53 50 48 1.515 102.763 -32.027 -0.308654 57 H14 hn E 56 53 50 1.023 112.097 161.803 0.324691 58 H21 hn E 56 53 50 1.024 109.980 -80.067 0.324691 59 C5 c3 M 56 53 50 1.511 106.183 39.417 -0.124419 60 H6 hx E 59 56 53 1.087 106.871 86.923 0.121116 61 H7 hx E 59 56 53 1.088 109.024 -153.744 0.121116 LOOP C19 N6 C2 N2 C13 C12 N1 C11 C5 C1 IMPROPER N7 N8 C20 S2 C20 H19 N8 H20 C18 N6 C19 N7 C17 C19 C18 N5 C18 N4 C17 O5 C17 C3 N4 H18 C3 N2 C8 O1 C8 C12 N2 C2 C16 C13 C12 N2 C12 O3 C16 O4 C14 C12 C13 C15 C10 C13 C15 H17 C9 C11 C10 C15 C10 N1 C11 O2 C6 C1 N1 C11 DONE STOP