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 O8 o M 3 2 1 1.540 111.208 -180.000 -0.686950 5 C23 c M 4 3 2 1.243 58.593 108.913 0.732355 6 O9 o E 5 4 3 1.268 129.727 -123.164 -0.686950 7 C20 c3 M 5 4 3 1.574 116.433 56.463 -0.038853 8 N4 n4 3 7 5 4 1.512 104.088 173.300 -0.455023 9 H3 hn E 8 7 5 1.021 113.907 -109.384 0.307458 10 H4 hn E 8 7 5 1.074 98.505 7.176 0.307458 11 H5 hn E 8 7 5 1.020 113.918 125.983 0.307458 12 H20 hx E 7 5 4 1.092 108.077 -73.623 0.098601 13 C17 c3 M 7 5 4 1.529 114.476 48.076 -0.062432 14 H16 hc E 13 7 5 1.092 106.488 -69.070 0.061322 15 H17 hc E 13 7 5 1.095 110.324 174.815 0.061322 16 C19 c3 M 13 7 5 1.526 114.024 50.066 0.145186 17 H18 h1 E 16 13 7 1.100 112.190 61.934 0.075937 18 H19 h1 E 16 13 7 1.095 109.498 -58.202 0.075937 19 O6 os M 16 13 7 1.428 107.300 -177.676 -0.431449 20 C18 ca M 19 16 13 1.373 117.575 168.525 0.290264 21 C22 ca B 20 19 16 1.398 124.402 7.309 -0.241649 22 C16 ca S 21 20 19 1.397 119.548 -178.446 -0.234413 23 H15 ha E 22 21 20 1.087 117.997 179.804 0.191691 24 H22 ha E 21 20 19 1.083 121.298 1.837 0.119198 25 C21 ca M 20 19 16 1.403 116.311 -172.431 -0.241649 26 H21 ha E 25 20 19 1.086 118.676 -0.694 0.119198 27 C15 ca M 25 20 19 1.390 120.464 178.129 -0.234413 28 H14 ha E 27 25 20 1.082 119.651 179.884 0.191691 29 C14 ca M 27 25 20 1.413 121.583 -0.198 0.143419 30 C10 ce M 29 27 25 1.486 121.929 -178.927 0.091492 31 N3 n2 S 30 29 27 1.340 124.457 -40.810 -0.207050 32 O7 o E 31 30 29 1.291 118.607 0.884 -0.505827 33 C7 c2 M 30 29 27 1.477 121.535 139.152 0.437830 34 O4 o E 33 30 29 1.242 124.956 159.547 -0.620486 35 N2 n M 33 30 29 1.392 115.255 -22.917 -0.619578 36 H2 hn E 35 33 30 1.011 116.419 6.304 0.274174 37 C1 cy M 35 33 30 1.434 122.441 161.479 0.402639 38 C3 c S 37 35 33 1.557 116.459 -110.545 0.384712 39 O1 o E 38 37 35 1.225 135.583 56.108 -0.624244 40 H6 h1 E 37 35 33 1.091 107.977 18.865 0.034233 41 C2 cy M 37 35 33 1.562 118.072 150.731 -0.299362 42 H7 h1 E 41 37 35 1.095 113.857 5.634 0.110198 43 H8 h1 E 41 37 35 1.091 117.144 -125.046 0.110198 44 N1 n M 41 37 35 1.474 87.382 120.059 -0.035048 45 C4 c3 M 44 41 37 1.462 132.757 -175.524 -0.106127 46 C6 c B 45 44 41 1.567 112.603 -62.307 0.742256 47 O2 o E 46 45 44 1.261 116.342 35.823 -0.773493 48 O3 o E 46 45 44 1.255 115.187 -146.425 -0.773493 49 H9 h1 E 45 44 41 1.094 104.824 -179.421 0.084519 50 C5 ca M 45 44 41 1.527 110.831 63.712 0.108836 51 C8 ca M 50 45 44 1.401 121.452 -88.938 -0.149697 52 H10 ha E 51 50 45 1.085 118.908 -2.016 0.164220 53 C11 ca M 51 50 45 1.396 121.164 178.353 -0.350546 54 H12 ha E 53 51 50 1.087 120.162 179.774 0.171291 55 C13 ca M 53 51 50 1.398 119.903 -0.136 0.378565 56 O5 oh S 55 53 51 1.370 122.585 179.938 -0.499868 57 H1 ho E 56 55 53 0.967 109.192 0.240 0.319673 58 C12 ca M 55 53 51 1.402 119.979 0.007 -0.350546 59 H13 ha E 58 55 53 1.087 119.131 -179.352 0.171291 60 C9 ca M 58 55 53 1.394 119.257 0.020 -0.149697 61 H11 ha E 60 58 55 1.087 118.965 -179.732 0.164220 LOOP C14 C16 N1 C3 C9 C5 IMPROPER C20 O8 C23 O9 C22 C21 C18 O6 C18 C16 C22 H22 C22 C14 C16 H15 C18 C15 C21 H21 C21 C14 C15 H14 C16 C15 C14 C10 C7 C14 C10 N3 C10 N2 C7 O4 C1 N1 C3 O1 C4 C3 N1 C2 C4 O2 C6 O3 C4 C8 C5 C9 C5 C11 C8 H10 C8 C13 C11 H12 C11 C12 C13 O5 C13 C9 C12 H13 C5 C12 C9 H11 DONE STOP