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 O2 o M 3 2 1 1.540 111.208 -180.000 -0.657181 5 C17 c M 4 3 2 1.255 65.474 -156.353 0.673606 6 O3 o E 5 4 3 1.266 126.996 178.029 -0.657181 7 C11 cd M 5 4 3 1.544 117.621 -3.517 -0.192805 8 C12 c S 7 5 4 1.458 125.673 16.540 0.471363 9 O1 o E 8 7 5 1.244 126.333 1.298 -0.484222 10 C5 cc M 7 5 4 1.370 115.674 -163.064 -0.033883 11 H8 h4 E 10 7 5 1.082 117.805 -2.390 0.055563 12 N1 na M 10 7 5 1.365 126.335 177.512 -0.067457 13 C1 cx B 12 10 7 1.451 119.916 178.641 0.242389 14 C2 cx 3 13 12 10 1.504 119.557 43.606 -0.262965 15 C3 cx B 14 13 12 1.507 60.214 109.302 -0.262965 16 H6 hc E 15 14 13 1.085 117.102 -107.125 0.122793 17 H7 hc E 15 14 13 1.085 119.195 106.725 0.122793 18 H4 hc E 14 13 12 1.084 117.003 -140.973 0.122793 19 H5 hc E 14 13 12 1.084 118.084 2.324 0.122793 20 H3 h1 E 13 12 10 1.088 113.402 -101.252 0.008985 21 C4 ca M 12 10 7 1.395 119.176 4.143 0.104158 22 C7 ca S 21 12 10 1.410 121.143 175.531 -0.255793 23 H9 ha E 22 21 12 1.080 119.012 -1.255 0.058141 24 C6 ca M 21 12 10 1.411 118.421 -3.080 -0.107547 25 C15 ca M 24 21 12 1.407 118.118 -179.658 -0.099503 26 H18 ha E 25 24 21 1.084 118.610 178.697 0.129832 27 C16 ca M 25 24 21 1.370 120.624 0.014 0.061118 28 F1 f E 27 25 24 1.360 119.033 178.025 -0.151142 29 C8 ca M 27 25 24 1.416 122.508 -1.783 0.210385 30 N2 nh M 29 27 25 1.411 119.677 178.914 -0.427884 31 C9 c3 M 30 29 27 1.471 116.740 58.957 0.328455 32 H10 h1 E 31 30 29 1.088 109.844 -41.769 -0.011441 33 H11 h1 E 31 30 29 1.103 111.017 77.394 -0.011441 34 C13 c3 M 31 30 29 1.521 110.383 -160.280 -0.242488 35 H14 hx E 34 31 30 1.090 111.641 -175.433 0.157263 36 H15 hx E 34 31 30 1.091 111.380 61.313 0.157263 37 N3 n4 M 34 31 30 1.511 109.624 -56.337 -0.156111 38 H1 hn E 37 34 31 1.024 109.922 176.458 0.277353 39 H2 hn E 37 34 31 1.026 109.605 -67.561 0.277353 40 C14 c3 M 37 34 31 1.510 111.929 54.286 -0.242488 41 H16 hx E 40 37 34 1.090 106.472 66.277 0.157263 42 H17 hx E 40 37 34 1.090 107.607 -176.006 0.157263 43 C10 c3 M 40 37 34 1.524 110.046 -54.376 0.328455 44 H12 h1 E 43 40 37 1.103 109.813 -68.088 -0.011441 45 H13 h1 E 43 40 37 1.092 107.032 175.377 -0.011441 LOOP C6 C12 C3 C1 C8 C7 C10 N2 IMPROPER C11 O2 C17 O3 C17 C12 C11 C5 C6 C11 C12 O1 C11 H8 C5 N1 C4 C5 N1 C1 C7 C6 C4 N1 C4 C8 C7 H9 C12 C4 C6 C15 C6 C16 C15 H18 C15 C8 C16 F1 C7 C16 C8 N2 C9 C10 N2 C8 DONE STOP