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 C12 c3 M 3 2 1 1.540 111.208 -180.000 -0.314100 5 H12 hx E 4 3 2 1.090 77.657 -35.018 0.176183 6 H13 hx E 4 3 2 1.088 65.166 84.538 0.176183 7 H14 hx E 4 3 2 1.089 171.927 137.651 0.176183 8 N2 n4 M 4 3 2 1.502 68.760 -150.321 -0.025106 9 C13 c3 3 8 4 3 1.504 110.995 131.684 -0.314100 10 H15 hx E 9 8 4 1.090 108.371 -64.146 0.176183 11 H16 hx E 9 8 4 1.089 108.627 55.767 0.176183 12 H17 hx E 9 8 4 1.089 108.719 175.818 0.176183 13 H1 hn E 8 4 3 1.024 107.572 -112.143 0.324631 14 C3 c3 M 8 4 3 1.522 113.047 6.773 -0.287940 15 H6 hx E 14 8 4 1.091 105.675 56.140 0.184299 16 H7 hx E 14 8 4 1.091 105.809 171.470 0.184299 17 C2 c3 M 14 8 4 1.526 114.910 -66.544 -0.243900 18 H4 hc E 17 14 8 1.095 105.293 171.490 0.152848 19 H5 hc E 17 14 8 1.094 111.713 57.438 0.152848 20 C1 c3 M 17 14 8 1.540 115.473 -66.958 -0.056390 21 H2 h1 E 20 17 14 1.097 108.929 179.591 0.097971 22 H3 h1 E 20 17 14 1.091 109.752 64.532 0.097971 23 N1 na M 20 17 14 1.465 112.793 -54.575 -0.250567 24 C4 ca M 23 20 17 1.416 119.483 -62.696 0.242669 25 C8 ca B 24 23 20 1.403 122.184 -23.175 -0.134797 26 C14 ca B 25 24 23 1.394 119.480 178.433 -0.038115 27 Cl1 cl E 26 25 24 1.764 118.562 -178.946 -0.062990 28 C16 ca B 26 25 24 1.391 122.171 1.867 -0.080373 29 C10 ca S 28 26 25 1.396 118.252 0.044 -0.153189 30 H10 ha E 29 28 26 1.085 119.750 179.194 0.167196 31 H19 ha E 28 26 25 1.084 120.949 179.727 0.144140 32 H8 ha E 25 24 23 1.082 121.026 -1.781 0.113140 33 C6 ca M 24 23 20 1.409 119.110 157.111 0.020140 34 S1 ss M 33 24 23 1.783 118.535 -2.696 -0.139207 35 C7 ca M 34 33 24 1.787 97.914 38.211 0.007875 36 C5 ca M 35 34 33 1.408 118.541 -37.594 0.119106 37 C9 ca M 36 35 34 1.402 118.448 -178.821 -0.163716 38 H9 ha E 37 36 35 1.084 120.307 -176.909 0.125289 39 C15 ca M 37 36 35 1.397 120.458 2.632 -0.124665 40 H18 ha E 39 37 36 1.086 119.157 179.068 0.142501 41 C17 ca M 39 37 36 1.394 120.607 -2.099 -0.159001 42 H20 ha E 41 39 37 1.085 120.554 -179.513 0.148043 43 C11 ca M 41 39 37 1.396 119.477 -0.240 -0.075683 44 H11 ha E 43 41 39 1.085 120.534 -178.764 0.141776 LOOP C5 N1 C6 C10 C11 C7 IMPROPER C1 C4 N1 C5 C8 C6 C4 N1 C4 C14 C8 H8 C8 C16 C14 Cl1 C14 C10 C16 H19 C16 C6 C10 H10 C4 C10 C6 S1 C5 C11 C7 S1 C7 C9 C5 N1 C5 C15 C9 H9 C9 C17 C15 H18 C15 C11 C17 H20 C7 C17 C11 H11 DONE STOP