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 O6 o M 3 2 1 1.540 111.208 -180.000 -0.659402 5 C21 c M 4 3 2 1.250 85.871 54.104 0.694630 6 O7 o E 5 4 3 1.271 126.421 -45.384 -0.659402 7 C17 c3 M 5 4 3 1.567 115.928 131.647 0.291445 8 C19 c3 3 7 5 4 1.529 112.122 40.536 -0.208554 9 H16 hc E 8 7 5 1.090 109.007 -57.744 0.041515 10 H17 hc E 8 7 5 1.092 111.221 61.760 0.041515 11 H18 hc E 8 7 5 1.095 110.387 -177.682 0.041515 12 C20 c3 3 7 5 4 1.533 108.401 -82.907 -0.208554 13 H19 hc E 12 7 5 1.093 109.350 59.662 0.041515 14 H20 hc E 12 7 5 1.095 110.629 179.406 0.041515 15 H21 hc E 12 7 5 1.093 110.473 -60.006 0.041515 16 O5 os M 7 5 4 1.455 110.385 165.008 -0.210413 17 N4 n2 M 16 7 5 1.397 112.296 -69.792 -0.254480 18 C10 ce M 17 16 7 1.291 111.528 147.869 0.205535 19 C13 cc S 18 17 16 1.470 118.376 174.228 0.222273 20 N5 nc S 19 18 17 1.390 119.805 4.367 -0.499650 21 C22 cd B 20 19 18 1.302 110.882 179.013 0.563854 22 S2 ss S 21 20 19 1.780 114.716 0.169 -0.141330 23 C18 cd S 22 21 20 1.742 88.223 -0.295 -0.305236 24 H15 h4 E 23 22 21 1.078 121.273 178.935 0.216956 25 N6 nh B 21 20 19 1.367 124.406 176.389 -0.812140 26 H2 hn E 25 21 20 1.010 117.623 155.392 0.356963 27 H3 hn E 25 21 20 1.012 114.128 18.270 0.356963 28 C9 c M 18 17 16 1.524 123.935 -7.020 0.438819 29 O4 o E 28 18 17 1.235 121.386 126.641 -0.534886 30 N2 n M 28 18 17 1.355 113.469 -56.515 -0.356975 31 H1 hn E 30 28 18 1.053 117.891 13.888 0.283507 32 C2 cy M 30 28 18 1.432 120.302 177.049 0.127421 33 C3 c B 32 30 28 1.554 116.109 -138.415 0.466303 34 O1 o E 33 32 30 1.209 134.881 59.396 -0.411114 35 N1 n S 33 32 30 1.396 91.433 -121.807 -0.251055 36 C4 ce S 35 33 32 1.395 138.339 166.274 0.095994 37 C8 c B 36 35 33 1.546 117.365 24.884 0.603358 38 O2 o E 37 36 35 1.245 115.495 -66.113 -0.587461 39 O3 o E 37 36 35 1.263 115.471 115.375 -0.587461 40 H5 h1 E 32 30 28 1.092 109.066 -8.790 0.009384 41 C1 cy M 32 30 28 1.561 119.618 121.737 0.233402 42 H4 h2 E 41 32 30 1.093 114.607 -127.854 -0.007704 43 S1 ss M 41 32 30 1.824 119.980 4.944 -0.320337 44 C6 c3 M 43 41 32 1.848 92.014 159.586 0.211843 45 H6 h1 E 44 43 41 1.096 108.002 76.840 -0.016172 46 H7 h1 E 44 43 41 1.094 104.845 -169.547 -0.016172 47 C5 c2 M 44 43 41 1.519 114.931 -48.879 -0.099540 48 C7 c3 M 47 44 43 1.505 115.157 -156.606 -0.276834 49 H8 h1 E 48 47 44 1.088 112.005 165.751 0.167397 50 H9 h1 E 48 47 44 1.092 112.152 42.841 0.167397 51 N3 na M 48 47 44 1.512 111.770 -75.807 0.049769 52 C11 ca M 51 48 47 1.356 117.905 -67.491 0.125918 53 H10 h4 E 52 51 48 1.093 115.013 -1.649 0.053539 54 C14 ca M 52 51 48 1.385 119.891 179.694 -0.158122 55 H12 ha E 54 52 51 1.083 118.965 179.528 0.134198 56 C16 ca M 54 52 51 1.396 119.643 -0.369 0.003573 57 H14 ha E 56 54 52 1.084 120.393 -179.728 0.097932 58 C15 ca M 56 54 52 1.394 119.292 0.345 -0.158122 59 H13 ha E 58 56 54 1.082 121.701 179.884 0.134198 60 C12 ca M 58 56 54 1.386 119.159 0.023 0.125918 61 H11 h4 E 60 58 56 1.082 122.830 179.625 0.053539 LOOP C18 C13 C1 N1 C5 C4 C12 N3 IMPROPER C17 O6 C21 O7 C9 C13 C10 N4 C18 C10 C13 N5 N5 N6 C22 S2 C13 H15 C18 S2 C22 H2 N6 H3 C10 N2 C9 O4 C9 C2 N2 H1 C2 N1 C3 O1 C3 C4 N1 C1 C5 C8 C4 N1 C4 O2 C8 O3 C6 C7 C5 C4 C7 C11 N3 C12 C14 H10 C11 N3 C11 C16 C14 H12 C14 C15 C16 H14 C16 C12 C15 H13 C15 H11 C12 N3 DONE STOP