0 0 2 This is a remark line molecule.res HIM 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 1.522 111.1 .0 .00000 4 C19 DU M 3 2 1 1.540 111.208 180.000 -0.13780 5 H21 DU E 4 3 2 1.079 77.205 -54.709 0.12560 6 H22 DU E 4 3 2 1.081 98.622 54.063 0.12560 7 H23 DU E 4 3 2 1.078 145.145 -161.065 0.12560 8 N12 DU M 4 3 2 1.467 40.332 163.474 0.05103 9 C13 DU S 8 4 3 1.384 124.967 -19.855 -0.07283 10 H20 DU E 9 8 4 1.069 121.407 0.084 0.18823 11 C11 DU M 8 4 3 1.308 126.491 160.354 -0.00316 12 H18 DU E 11 8 4 1.069 125.766 0.016 0.24869 13 N10 DU M 11 8 4 1.319 108.633 -179.955 -0.21737 14 H17 DU E 13 11 8 0.999 124.662 -179.067 0.37122 15 C09 DU M 13 11 8 1.384 109.839 -0.199 0.00795 16 C08 DU M 15 13 11 1.503 122.216 -179.097 -0.02068 17 H15 DU E 16 15 13 1.082 109.010 120.394 0.08268 18 H16 DU E 16 15 13 1.081 109.716 4.929 0.08268 19 C03 DU M 16 15 13 1.543 113.170 -116.465 0.01992 20 C04 DU B 19 16 15 1.536 109.667 173.440 0.45984 21 N05 DU B 20 19 16 1.336 115.767 167.970 -0.32617 22 C29 DU 3 21 20 19 1.455 121.434 177.201 -0.17213 23 H31 DU E 22 21 20 1.080 108.402 -172.312 0.10923 24 H32 DU E 22 21 20 1.080 110.170 -52.782 0.10923 25 H33 DU E 22 21 20 1.083 111.077 67.665 0.10923 26 H30 DU E 21 20 19 0.995 118.893 -6.854 0.27356 27 O06 DU E 20 19 16 1.201 119.806 -15.147 -0.51663 28 H14 DU E 19 16 15 1.084 108.092 59.652 0.11664 29 N01 DU M 19 16 15 1.452 114.222 -56.995 -0.62917 30 H02 DU E 29 19 16 0.999 114.458 90.039 0.32274 31 C07 DU M 29 19 16 1.386 126.201 -53.005 0.68199 32 C25 DU 3 31 29 19 1.509 118.756 -40.804 -0.19356 33 H26 DU E 32 31 29 1.081 114.018 40.849 0.08290 34 H27 DU E 32 31 29 1.080 108.265 163.508 0.08290 35 H28 DU E 32 31 29 1.084 108.342 -78.846 0.08290 36 O24 DU M 31 29 19 1.198 118.986 142.605 -0.57085 LOOP C09 C13 IMPROPER C11 C19 N12 C13 C09 N12 C13 H20 H18 N10 C11 N12 C11 H17 N10 C09 N10 C08 C09 C13 C03 N05 C04 O06 N01 C25 C07 O24 DONE STOP