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 O2 o M 3 2 1 1.540 111.208 -180.000 -0.632745 5 C4 c M 4 3 2 1.197 139.496 -75.928 0.877533 6 C5 c3 3 5 4 3 1.515 121.586 10.410 -0.556698 7 H6 hc E 6 5 4 1.085 112.016 123.542 0.163097 8 H7 hc E 6 5 4 1.085 110.838 -115.730 0.163097 9 H8 hc E 6 5 4 1.080 107.788 3.422 0.163097 10 N1 ns M 5 4 3 1.364 120.670 -168.532 -0.742508 11 H1 hn E 10 5 4 0.998 114.462 -1.684 0.391505 12 C1 c3 M 10 5 4 1.443 128.817 -174.380 -0.010877 13 H2 h1 E 12 10 5 1.080 109.414 -25.245 0.107811 14 C3 c B 12 10 5 1.530 106.697 -144.786 0.674172 15 O1 o E 14 12 10 1.205 119.323 -59.280 -0.563994 16 N2 ns B 14 12 10 1.339 117.016 119.926 -0.480240 17 H5 hn E 16 14 12 0.993 118.926 7.823 0.308977 18 C6 c3 3 16 14 12 1.451 121.833 177.677 -0.175135 19 H9 h1 E 18 16 14 1.079 109.572 45.330 0.111072 20 H10 h1 E 18 16 14 1.081 108.641 164.551 0.111072 21 H11 h1 E 18 16 14 1.084 111.479 -75.206 0.111072 22 C2 c3 M 12 10 5 1.537 110.760 95.215 -0.212469 23 H3 h1 E 22 12 10 1.082 108.908 -57.151 0.166708 24 H4 h1 E 22 12 10 1.081 109.811 60.326 0.166708 25 S1 ss M 22 12 10 1.818 115.100 -175.159 -0.176433 26 C7 c2 M 25 22 12 1.758 102.560 -85.767 -0.119391 27 H12 h4 E 26 25 22 1.076 115.672 -12.444 0.210696 28 C8 ce M 26 25 22 1.325 123.759 168.710 -0.281234 29 H13 ha E 28 26 25 1.076 122.862 -2.114 0.207553 30 C9 c M 28 26 25 1.474 120.270 177.896 0.548825 31 H14 h4 E 30 28 26 1.094 115.312 -0.395 -0.008383 32 O3 o M 30 28 26 1.190 123.762 179.300 -0.522888 LOOP IMPROPER C5 N1 C4 O2 C1 C4 N1 H1 C1 N2 C3 O1 C3 C6 N2 H5 C8 H12 C7 S1 C7 C9 C8 H13 C8 H14 C9 O3 DONE STOP