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 nh M 3 2 1 1.540 111.208 -180.000 -0.780865 5 H2 hn E 4 3 2 1.012 96.812 -132.216 0.372729 6 H3 hn E 4 3 2 1.011 137.318 91.338 0.372729 7 C21 cd M 4 3 2 1.370 20.356 79.233 0.444542 8 N5 nc E 7 4 3 1.302 124.461 17.037 -0.477338 9 S2 ss M 7 4 3 1.778 120.776 -158.937 -0.031880 10 C20 cd M 9 7 4 1.739 88.333 177.219 -0.375414 11 H19 h4 E 10 9 7 1.078 121.204 177.554 0.256448 12 C19 cc M 10 9 7 1.369 110.273 -1.121 0.302060 13 C18 ce M 12 10 9 1.474 123.620 -179.040 0.081225 14 N4 n2 S 13 12 10 1.293 127.776 146.294 -0.182463 15 O5 os S 14 13 12 1.370 115.835 -3.120 -0.069059 16 C22 c3 3 15 14 13 1.437 109.369 -179.921 -0.212033 17 H20 h1 E 16 15 14 1.093 110.776 -62.745 0.120182 18 H21 h1 E 16 15 14 1.094 110.735 59.550 0.120182 19 H22 h1 E 16 15 14 1.091 105.095 178.428 0.120182 20 C16 c M 13 12 10 1.519 118.880 -33.705 0.422409 21 O4 o E 20 13 12 1.229 122.206 -6.323 -0.475947 22 N3 n M 20 13 12 1.366 114.810 173.455 -0.262183 23 H1 hn E 22 20 13 1.012 116.896 1.810 0.203341 24 C2 cy M 22 20 13 1.429 122.097 176.451 -0.100685 25 C3 c B 24 22 20 1.556 116.426 -137.347 0.507224 26 O1 o E 25 24 22 1.209 135.973 53.373 -0.417058 27 N1 n S 25 24 22 1.388 91.308 -124.487 -0.237699 28 C5 ce S 27 25 24 1.395 133.378 160.728 0.016346 29 C14 c B 28 27 25 1.549 115.983 40.040 0.726231 30 O2 o E 29 28 27 1.251 116.915 -118.213 -0.634980 31 O3 o E 29 28 27 1.256 113.190 64.178 -0.634980 32 H5 h1 E 24 22 20 1.092 108.204 -7.669 0.122124 33 C1 cy M 24 22 20 1.566 119.863 122.684 0.177236 34 H4 h2 E 33 24 22 1.093 115.197 -124.703 0.064534 35 S1 ss M 33 24 22 1.828 118.706 8.100 -0.278515 36 C6 c3 M 35 33 24 1.850 93.143 155.094 -0.029987 37 H6 h1 E 36 35 33 1.096 108.051 76.364 0.077264 38 H7 h1 E 36 35 33 1.094 104.514 -170.055 0.077264 39 C4 c2 M 36 35 33 1.517 114.891 -49.537 -0.048466 40 C7 c3 M 39 36 35 1.504 116.464 -154.131 -0.345099 41 H8 h1 E 40 39 36 1.090 110.413 161.299 0.185959 42 H9 h1 E 40 39 36 1.089 111.466 40.297 0.185959 43 N2 na M 40 39 36 1.515 112.706 -79.190 0.061815 44 C8 ca M 43 40 39 1.350 121.899 123.384 0.122673 45 C9 c3 M 44 43 40 1.507 127.514 -0.334 -0.069852 46 H10 hc E 45 44 43 1.098 109.630 -75.059 0.070473 47 H11 hc E 45 44 43 1.093 113.371 44.904 0.070473 48 C11 c3 M 45 44 43 1.551 102.481 166.330 -0.079960 49 H12 hc E 48 45 44 1.091 111.918 147.352 0.060099 50 H13 hc E 48 45 44 1.094 109.092 -93.467 0.060099 51 C12 c3 M 48 45 44 1.549 105.809 24.296 -0.068080 52 H14 hc E 51 48 45 1.093 113.016 -147.173 0.062836 53 H15 hc E 51 48 45 1.097 111.357 92.175 0.062836 54 C10 ca M 51 48 45 1.509 103.312 -25.153 0.040243 55 C15 ca M 54 51 48 1.389 130.276 -164.459 -0.121624 56 H17 ha E 55 54 51 1.085 121.068 1.353 0.157382 57 C17 ca M 55 54 51 1.399 118.420 -179.231 -0.188081 58 H18 ha E 57 55 54 1.083 121.223 -178.856 0.185365 59 C13 ca M 57 55 54 1.381 119.985 1.122 0.134524 60 H16 h4 E 59 57 55 1.086 122.734 179.928 0.077263 LOOP C19 N5 C1 N1 C4 C5 C13 N2 C10 C8 IMPROPER C21 H2 N6 H3 N5 N6 C21 S2 C19 H19 C20 S2 C20 C18 C19 N5 C16 C19 C18 N4 C18 N3 C16 O4 C16 C2 N3 H1 C2 N1 C3 O1 C3 C5 N1 C1 C4 C14 C5 N1 C5 O2 C14 O3 C6 C7 C4 C5 C7 C8 N2 C13 C9 C10 C8 N2 C12 C8 C10 C15 C10 C17 C15 H17 C15 C13 C17 H18 C17 H16 C13 N2 DONE STOP