@MOLECULE FDBD01088 62 64 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.4510 -1.0220 0.5743 O.3 1 UNK -0.3739 2 N -2.4690 1.2449 -1.1449 N.4 1 UNK 0.2401 3 N1 0.8191 0.2208 0.2198 N.pl3 1 UNK -0.3201 4 C -1.4525 1.0662 -0.1188 C.3 1 UNK 0.0190 5 C1 -3.6623 1.9212 -0.6370 C.3 1 UNK -0.0313 6 C2 -2.0033 2.0779 -2.2531 C.3 1 UNK -0.0313 7 C3 -4.3840 2.3413 -1.9089 C.3 1 UNK -0.0077 8 C4 -3.2942 2.4409 -2.9719 C.3 1 UNK -0.0077 9 C5 -0.2371 0.3824 -0.7529 C.3 1 UNK 0.0576 10 C6 -2.0316 0.2541 1.0455 C.3 1 UNK 0.0918 11 C7 1.2631 -1.1337 0.5508 C.3 1 UNK 0.0374 12 C8 1.4060 1.3261 0.8504 C.ar 1 UNK 0.0301 13 C9 -3.0421 -1.7907 1.6122 C.3 1 UNK 0.0502 14 C10 -3.4639 -3.1597 1.0718 C.3 1 UNK -0.0232 15 C11 2.4150 -1.5399 -0.3259 C.ar 1 UNK -0.0302 16 C12 1.3371 1.4558 2.2375 C.ar 1 UNK -0.0406 17 C13 2.0588 2.2970 0.0907 C.ar 1 UNK -0.0406 18 C14 -2.2647 -3.9358 0.5229 C.3 1 UNK -0.0606 19 C15 -4.1665 -3.9686 2.1599 C.3 1 UNK -0.0606 20 C16 2.1742 -2.1797 -1.5418 C.ar 1 UNK -0.0571 21 C17 3.7245 -1.2766 0.0763 C.ar 1 UNK -0.0571 22 C18 1.9207 2.5564 2.8650 C.ar 1 UNK -0.0600 23 C19 2.6424 3.3975 0.7183 C.ar 1 UNK -0.0600 24 C20 2.5734 3.5271 2.1055 C.ar 1 UNK -0.0616 25 C21 3.2428 -2.5565 -2.3553 C.ar 1 UNK -0.0615 26 C22 4.7931 -1.6533 -0.7374 C.ar 1 UNK -0.0615 27 C23 4.5522 -2.2932 -1.9532 C.ar 1 UNK -0.0617 28 H -2.6790 0.2953 -1.4525 H 1 UNK 0.2038 29 H1 -1.1399 2.0092 0.2786 H 1 UNK 0.0890 30 H2 -3.3992 2.7727 -0.0448 H 1 UNK 0.0814 31 H3 -4.2580 1.3031 0.0017 H 1 UNK 0.0814 32 H4 -1.3456 1.5309 -2.8958 H 1 UNK 0.0814 33 H5 -1.4434 2.9318 -1.9334 H 1 UNK 0.0814 34 H6 -4.8635 3.2881 -1.7731 H 1 UNK 0.0319 35 H7 -5.1487 1.6452 -2.1837 H 1 UNK 0.0319 36 H8 -3.4849 1.7548 -3.7705 H 1 UNK 0.0319 37 H9 -3.2487 3.4167 -3.4085 H 1 UNK 0.0319 38 H10 -0.5268 -0.5797 -1.1208 H 1 UNK 0.0520 39 H11 0.1226 0.9920 -1.5553 H 1 UNK 0.0520 40 H12 -1.2823 0.1271 1.7988 H 1 UNK 0.0617 41 H13 -2.8704 0.7738 1.4593 H 1 UNK 0.0617 42 H14 0.4517 -1.8157 0.4044 H 1 UNK 0.0513 43 H15 1.5821 -1.1532 1.5720 H 1 UNK 0.0513 44 H16 -3.9024 -1.2773 1.9879 H 1 UNK 0.0562 45 H17 -2.3297 -1.9270 2.3989 H 1 UNK 0.0562 46 H18 -4.1477 -2.9968 0.2651 H 1 UNK 0.0318 47 H19 0.8543 0.7374 2.7995 H 1 UNK 0.0636 48 H20 2.1099 2.2011 -0.9356 H 1 UNK 0.0636 49 H21 -1.5632 -4.1127 1.3113 H 1 UNK 0.0233 50 H22 -1.7950 -3.3657 -0.2512 H 1 UNK 0.0233 51 H23 -2.5974 -4.8716 0.1248 H 1 UNK 0.0233 52 H24 -3.4903 -4.1369 2.9719 H 1 UNK 0.0233 53 H25 -4.4821 -4.9086 1.7578 H 1 UNK 0.0233 54 H26 -5.0194 -3.4270 2.5124 H 1 UNK 0.0233 55 H27 1.2054 -2.3743 -1.8395 H 1 UNK 0.0621 56 H28 3.9027 -0.8031 0.9758 H 1 UNK 0.0621 57 H29 1.8695 2.6524 3.8912 H 1 UNK 0.0618 58 H30 3.1253 4.1159 0.1563 H 1 UNK 0.0618 59 H31 3.0053 4.3413 2.5698 H 1 UNK 0.0618 60 H32 3.0646 -3.0301 -3.2547 H 1 UNK 0.0618 61 H33 5.7619 -1.4586 -0.4399 H 1 UNK 0.0618 62 H34 5.3428 -2.5718 -2.5552 H 1 UNK 0.0618 @BOND 1 1 10 1 2 1 13 1 3 2 4 1 4 2 5 1 5 2 6 1 6 3 9 1 7 3 11 1 8 3 12 1 9 4 9 1 10 4 10 1 11 5 7 1 12 6 8 1 13 7 8 1 14 11 15 1 15 12 16 ar 16 12 17 ar 17 13 14 1 18 14 18 1 19 14 19 1 20 15 20 ar 21 15 21 ar 22 16 22 ar 23 17 23 ar 24 20 25 ar 25 21 26 ar 26 22 24 ar 27 23 24 ar 28 25 27 ar 29 26 27 ar 30 2 28 1 31 4 29 1 32 5 30 1 33 5 31 1 34 6 32 1 35 6 33 1 36 7 34 1 37 7 35 1 38 8 36 1 39 8 37 1 40 9 38 1 41 9 39 1 42 10 40 1 43 10 41 1 44 11 42 1 45 11 43 1 46 13 44 1 47 13 45 1 48 14 46 1 49 16 47 1 50 17 48 1 51 18 49 1 52 18 50 1 53 18 51 1 54 19 52 1 55 19 53 1 56 19 54 1 57 20 55 1 58 21 56 1 59 22 57 1 60 23 58 1 61 24 59 1 62 25 60 1 63 26 61 1 64 27 62 1