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 C11 c3 M 3 2 1 1.540 111.208 -180.000 -0.109503 5 H17 hc E 4 3 2 1.087 77.077 -90.108 0.027522 6 H18 hc E 4 3 2 1.085 96.830 16.618 0.027522 7 H19 hc E 4 3 2 1.086 151.911 166.426 0.027522 8 C10 c3 M 4 3 2 1.529 44.860 131.091 0.069066 9 H15 hc E 8 4 3 1.088 108.721 108.574 -0.013372 10 H16 hc E 8 4 3 1.088 109.437 -135.900 -0.013372 11 C9 c3 M 8 4 3 1.533 114.535 -12.853 -0.144869 12 H13 hc E 11 8 4 1.090 109.161 56.990 0.033597 13 H14 hc E 11 8 4 1.088 108.523 172.360 0.033597 14 C8 c3 M 11 8 4 1.531 114.543 -65.856 0.285139 15 H11 hc E 14 11 8 1.083 110.456 61.671 -0.046457 16 H12 hc E 14 11 8 1.089 109.186 -55.323 -0.046457 17 C7 c3 M 14 11 8 1.531 112.370 -176.602 -0.115540 18 H9 hc E 17 14 11 1.087 109.807 -59.113 0.000556 19 H10 hc E 17 14 11 1.087 109.357 58.421 0.000556 20 C4 c3 M 17 14 11 1.518 113.222 179.276 0.038817 21 H4 h1 E 20 17 14 1.087 109.992 -57.711 0.140059 22 O1 os S 20 17 14 1.415 109.306 62.461 -0.490672 23 C6 c3 3 22 20 17 1.393 109.615 164.050 0.613638 24 C5 c3 B 23 22 20 1.534 106.484 -23.790 -0.406059 25 H5 hc E 24 23 22 1.082 112.658 -124.306 0.162907 26 H6 hc E 24 23 22 1.083 108.608 115.902 0.162907 27 H7 h2 E 23 22 20 1.083 106.617 -145.331 -0.007232 28 O2 oh S 23 22 20 1.389 111.620 94.339 -0.746869 29 H8 ho E 28 23 22 0.949 108.715 56.538 0.453858 30 C3 c3 M 20 17 14 1.535 116.586 177.422 0.125593 31 H28 h1 E 30 20 17 1.083 108.926 -41.884 0.133429 32 S1 ss M 30 20 17 1.822 115.551 80.731 -0.402285 33 C2 c3 M 32 30 20 1.822 103.485 -96.010 0.235852 34 H2 h1 E 33 32 30 1.080 106.454 143.676 0.025660 35 H3 h1 E 33 32 30 1.082 109.932 26.764 0.025660 36 C1 c3 M 33 32 30 1.538 114.868 -97.623 0.053668 37 H1 h1 E 36 33 32 1.080 108.925 -56.109 0.108512 38 N2 ns B 36 33 32 1.445 110.227 -174.743 -0.696777 39 H24 hn E 38 36 33 0.996 116.499 -92.797 0.369004 40 C14 c B 38 36 33 1.351 122.310 83.543 0.798215 41 C15 c3 3 40 38 36 1.513 116.019 -179.805 -0.514624 42 H25 hc E 41 40 38 1.084 108.461 -119.826 0.144388 43 H26 hc E 41 40 38 1.083 113.503 1.607 0.144388 44 H27 hc E 41 40 38 1.082 108.614 123.414 0.144388 45 O4 o E 40 38 36 1.203 122.396 0.612 -0.615862 46 C12 c M 36 33 32 1.527 111.924 66.998 0.589149 47 O3 o E 46 36 33 1.207 120.177 77.690 -0.569815 48 N1 ns M 46 36 33 1.339 116.763 -102.976 -0.421615 49 H20 hn E 48 46 36 0.993 118.738 7.909 0.277020 50 C13 c3 M 48 46 36 1.448 121.539 178.303 -0.285157 51 H21 h1 E 50 48 46 1.081 110.163 54.776 0.131449 52 H22 h1 E 50 48 46 1.081 108.568 174.151 0.131449 53 H23 h1 E 50 48 46 1.084 111.614 -65.579 0.131449 LOOP C3 C5 IMPROPER C1 C14 N2 H24 C15 N2 C14 O4 C1 N1 C12 O3 C13 C12 N1 H20 DONE STOP