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 C18 c3 M 3 2 1 1.540 111.208 -180.000 -0.229451 5 H19 hc E 4 3 2 1.094 109.547 136.926 0.051473 6 H20 hc E 4 3 2 1.095 8.727 60.811 0.051473 7 H21 hc E 4 3 2 1.094 99.738 -109.679 0.051473 8 C17 c3 M 4 3 2 1.529 115.371 8.787 0.342452 9 H17 h1 E 8 4 3 1.108 109.744 68.100 -0.040050 10 H18 h1 E 8 4 3 1.095 108.693 -47.830 -0.040050 11 N3 n3 M 8 4 3 1.468 113.473 -166.798 -0.439906 12 C12 c3 3 11 8 4 1.464 111.342 166.797 0.013113 13 C7 c3 B 12 11 8 1.525 110.869 -175.942 0.078747 14 H9 h1 E 13 12 11 1.088 109.509 -178.201 0.035733 15 H10 h1 E 13 12 11 1.103 109.204 63.406 0.035733 16 H14 h1 E 12 11 8 1.095 108.954 -56.249 0.042172 17 H15 h1 E 12 11 8 1.108 111.731 62.353 0.042172 18 C11 c3 M 11 8 4 1.464 112.766 -70.027 0.013113 19 H12 h1 E 18 11 8 1.108 111.351 -61.574 0.042172 20 H13 h1 E 18 11 8 1.093 109.619 57.293 0.042172 21 C6 c3 M 18 11 8 1.528 111.043 176.751 0.078747 22 H7 h1 E 21 18 11 1.104 109.116 -65.177 0.035733 23 H8 h1 E 21 18 11 1.093 108.827 177.170 0.035733 24 N2 nh M 21 18 11 1.463 110.296 57.664 -0.331992 25 C9 ca M 24 21 18 1.402 117.752 165.035 0.234382 26 C10 ca M 25 24 21 1.398 123.144 10.676 -0.281426 27 H11 ha E 26 25 24 1.080 119.368 3.878 0.068771 28 C4 ca M 26 25 24 1.410 121.597 -176.963 0.125116 29 N1 na M 28 26 25 1.396 121.197 179.779 -0.112717 30 C1 cx B 29 28 26 1.451 120.614 1.430 0.318298 31 C2 cx 3 30 29 28 1.504 119.622 -142.575 -0.272089 32 C3 cx B 31 30 29 1.507 60.197 109.356 -0.272089 33 H4 hc E 32 31 30 1.085 117.088 -107.049 0.113004 34 H5 hc E 32 31 30 1.085 119.267 106.745 0.113004 35 H2 hc E 31 30 29 1.084 117.011 -140.980 0.113004 36 H3 hc E 31 30 29 1.085 118.161 2.388 0.113004 37 H1 h1 E 30 29 28 1.087 113.401 72.577 -0.014399 38 C5 cc M 29 28 26 1.366 119.196 175.668 -0.034211 39 H6 h4 E 38 29 28 1.082 115.869 -176.293 0.051098 40 C13 cd M 38 29 28 1.371 126.399 3.808 -0.209972 41 C19 c B 40 38 29 1.545 115.680 178.054 0.685693 42 O2 o E 41 40 38 1.256 118.045 -167.507 -0.695307 43 O3 o E 41 40 38 1.266 115.233 11.559 -0.695307 44 C14 c M 40 38 29 1.459 118.506 -1.892 0.480609 45 O1 o E 44 40 38 1.245 126.279 -179.266 -0.509006 46 C8 ca M 44 40 38 1.486 114.430 -0.685 -0.141604 47 C16 ca M 46 44 40 1.407 119.051 -178.672 -0.096924 48 H16 ha E 47 46 44 1.084 118.641 -1.516 0.111355 49 C15 ca M 47 46 44 1.370 120.831 179.783 0.056273 50 F1 f M 49 47 46 1.361 118.584 177.326 -0.159324 LOOP N2 C7 C15 C9 C8 C4 C3 C1 IMPROPER C7 C6 N2 C9 C10 C15 C9 N2 C9 C4 C10 H11 C10 C8 C4 N1 C4 C5 N1 C1 C13 H6 C5 N1 C19 C14 C13 C5 C13 O2 C19 O3 C8 C13 C14 O1 C14 C4 C8 C16 C8 C15 C16 H16 C9 C16 C15 F1 DONE STOP