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 C14 cd M 3 2 1 1.540 111.208 -180.000 -0.272760 5 H13 h4 E 4 3 2 1.081 99.423 104.831 0.167498 6 S2 ss M 4 3 2 1.742 25.827 -39.332 -0.129675 7 C15 cd M 6 4 3 1.742 91.105 -138.499 -0.181702 8 H14 h4 E 7 6 4 1.082 120.011 179.929 0.129006 9 C13 cc M 7 6 4 1.364 111.374 0.207 -0.094314 10 H12 ha E 9 7 6 1.084 123.326 179.425 0.109010 11 C11 cc M 9 7 6 1.437 113.606 -0.207 0.203588 12 C10 c3 M 11 9 7 1.505 124.588 179.427 -0.175283 13 C12 c B 12 11 9 1.591 113.827 -64.255 0.733055 14 O5 o E 13 12 11 1.268 114.900 -176.232 -0.699737 15 O6 o E 13 12 11 1.246 117.482 1.766 -0.699737 16 H11 hc E 12 11 9 1.098 108.585 -179.476 0.010002 17 C9 c M 12 11 9 1.542 111.617 65.227 0.544090 18 O4 o E 17 12 11 1.234 122.954 7.593 -0.594819 19 N2 n M 17 12 11 1.363 113.548 -174.839 -0.358822 20 H1 hn E 19 17 12 1.030 113.478 13.246 0.201820 21 C4 cy M 19 17 12 1.425 122.305 178.052 0.023577 22 H4 h1 E 21 19 17 1.093 108.158 6.861 0.026693 23 C1 cy M 21 19 17 1.568 120.390 137.480 0.332640 24 H2 h2 E 23 21 19 1.089 117.657 -114.354 0.018886 25 S1 ss M 23 21 19 1.850 119.185 22.116 -0.442586 26 C2 c3 M 25 23 21 1.896 94.243 105.436 0.533970 27 C6 c3 3 26 25 23 1.533 108.620 132.951 -0.201058 28 H5 hc E 27 26 25 1.091 111.182 -56.624 0.024947 29 H6 hc E 27 26 25 1.094 110.663 64.205 0.024947 30 H7 hc E 27 26 25 1.094 109.576 -176.301 0.024947 31 C7 c3 3 26 25 23 1.538 109.035 -107.093 -0.201058 32 H8 hc E 31 26 25 1.094 110.984 -57.368 0.024947 33 H9 hc E 31 26 25 1.093 111.852 63.423 0.024947 34 H10 hc E 31 26 25 1.096 109.694 -176.607 0.024947 35 C3 c3 M 26 25 23 1.580 105.290 11.268 0.023642 36 C8 c B 35 26 25 1.564 113.586 94.621 0.735981 37 O2 o E 36 35 26 1.257 114.911 92.575 -0.739707 38 O3 o E 36 35 26 1.258 116.388 -85.942 -0.739707 39 H3 h1 E 35 26 25 1.093 108.640 -144.302 0.025378 40 N1 n M 35 26 25 1.457 105.799 -28.318 -0.466829 41 C5 c M 40 35 26 1.382 130.330 -83.264 0.578983 42 O1 o M 41 40 35 1.216 132.202 -35.787 -0.549706 LOOP C11 C14 C5 C4 N1 C1 IMPROPER C11 H13 C14 S2 C13 H14 C15 S2 C11 C15 C13 H12 C10 C13 C11 C14 C10 O5 C12 O6 C10 N2 C9 O4 C9 C4 N2 H1 C3 O2 C8 O3 C3 C5 N1 C1 C4 N1 C5 O1 DONE STOP