0 0 2 This is a remark line molecule.res MOL XYZ 0 CHANGE OMIT DU BEG 0.0000 1 DUMM DU M 999.000 999.0 -999.0 .00000 2 DUMM DU M 999.000 -999.0 999.0 .00000 3 DUMM DU M -999.000 999.0 999.0 .00000 4 C1 ca M -1.268000 -0.732000 0.000000 0.399425 5 C2 ca B -1.387000 -1.968000 -0.670000 -0.257387 6 H4 ha E -0.522000 -2.387000 -1.200000 0.150941 7 C3 ca B -2.595000 -2.657000 -0.671000 -0.121262 8 H ha E -2.678000 -3.612000 -1.201000 0.143547 9 C4 ca B -3.703000 -2.138000 0.001000 -0.189399 10 H1 ha E -4.651000 -2.685000 0.001000 0.143773 11 C5 ca B -3.599000 -0.918000 0.672000 -0.121262 12 C6 ca S -2.398000 -0.216000 0.671000 -0.257387 13 H3 ha E -2.327000 0.742000 1.201000 0.150941 14 H2 ha E -4.466000 -0.512000 1.203000 0.143547 15 N nh M -0.000000 0.000000 0.000000 -0.556432 16 C7 ca S 1.268000 -0.732000 -0.000000 0.399425 17 C ca B 2.398000 -0.217000 -0.671000 -0.257387 18 H5 ha E 2.328000 0.741000 -1.201000 0.150941 19 C11 ca B 3.599000 -0.919000 -0.672000 -0.121262 20 H9 ha E 4.466000 -0.514000 -1.203000 0.143547 21 C10 ca B 3.703000 -2.139000 0.000000 -0.189399 22 H8 ha E 4.651000 -2.686000 0.000000 0.143773 23 C9 ca B 2.595000 -2.658000 0.672000 -0.121262 24 C8 ca S 1.386000 -1.968000 0.671000 -0.257387 25 H6 ha E 0.521000 -2.386000 1.201000 0.150941 26 H7 ha E 2.677000 -3.612000 1.203000 0.143547 27 C12 ca M 0.000000 1.464000 -0.000000 0.399425 28 C13 ca M -1.011000 2.185000 -0.671000 -0.257387 29 H10 ha E -1.806000 1.645000 -1.201000 0.150941 30 C14 ca M -1.004000 3.576000 -0.672000 -0.121262 31 H11 ha E -1.789000 4.124000 -1.203000 0.143547 32 C15 ca M 0.001000 4.276000 -0.001000 -0.189399 33 H12 ha E 0.001000 5.371000 -0.001000 0.143773 34 C16 ca M 1.004000 3.576000 0.671000 -0.121262 35 H13 ha E 1.790000 4.125000 1.201000 0.143547 36 C17 ca M 1.012000 2.185000 0.670000 -0.257387 37 H14 ha E 1.806000 1.645000 1.200000 0.150941 LOOP C6 C1 C8 C7 C17 C12 IMPROPER C6 C2 C1 N C1 C3 C2 H4 C2 C4 C3 H C5 C3 C4 H1 C6 C4 C5 H2 C5 C1 C6 H3 C7 C12 N C1 C C8 C7 N C7 C11 C H5 C C10 C11 H9 C11 C9 C10 H8 C10 C8 C9 H7 C7 C9 C8 H6 C13 C17 C12 N C12 C14 C13 H10 C13 C15 C14 H11 C14 C16 C15 H12 C15 C17 C16 H13 C12 C16 C17 H14 DONE STOP