@MOLECULE FDBD00769 68 70 0 0 0 SMALL GASTEIGER @ATOM 1 O 0.6942 1.4795 0.9704 O.2 1 UNK -0.2754 2 O1 -4.5513 -1.4918 -0.0092 O.3 1 UNK -0.4916 3 O2 -5.8819 2.3214 -0.6690 O.co2 1 UNK -0.5445 4 O3 -6.6865 0.2382 -0.2455 O.co2 1 UNK -0.5445 5 N 2.8219 0.9446 -1.5513 N.pl3 1 UNK -0.3296 6 N1 1.2018 -0.7222 1.5011 N.am 1 UNK -0.3081 7 C 4.2868 1.0487 -1.6113 C.3 1 UNK 0.0122 8 C1 2.0674 2.1489 -1.9170 C.3 1 UNK 0.0122 9 C2 4.7729 2.2475 -0.7998 C.3 1 UNK -0.0372 10 C3 2.5530 3.3527 -1.1110 C.3 1 UNK -0.0372 11 C4 4.0626 3.5290 -1.2190 C.3 1 UNK -0.0502 12 C5 2.3960 -0.8236 0.6876 C.3 1 UNK 0.0503 13 C6 2.2554 -0.3164 -1.7733 C.ar 1 UNK 0.0347 14 C7 2.0318 -1.2020 -0.7328 C.ar 1 UNK -0.0062 15 C8 3.3941 -1.7918 1.3545 C.3 1 UNK -0.0279 16 C9 3.8481 -1.3971 2.7756 C.3 1 UNK -0.0447 17 C10 1.9105 -0.6893 -3.0724 C.ar 1 UNK -0.0403 18 C11 1.4733 -2.4502 -0.9534 C.ar 1 UNK -0.0550 19 C12 4.4676 0.0003 2.8232 C.3 1 UNK -0.0626 20 C13 4.8564 -2.4245 3.2981 C.3 1 UNK -0.0626 21 C14 1.3472 -1.9426 -3.3120 C.ar 1 UNK -0.0600 22 C15 1.1285 -2.8231 -2.2525 C.ar 1 UNK -0.0613 23 C16 0.4465 0.4370 1.5709 C.2 1 UNK 0.2178 24 C17 -0.7478 0.2635 2.4894 C.3 1 UNK 0.0492 25 C18 -2.0685 0.4689 1.7960 C.ar 1 UNK -0.0351 26 C19 -2.7071 -0.6137 1.2080 C.ar 1 UNK -0.0157 27 C20 -2.6279 1.7382 1.7550 C.ar 1 UNK -0.0573 28 C21 -3.9306 -0.4234 0.5658 C.ar 1 UNK 0.1296 29 C22 -3.8514 1.9286 1.1126 C.ar 1 UNK -0.0491 30 C23 -4.5026 0.8479 0.5179 C.ar 1 UNK 0.0390 31 C24 -5.7789 1.0689 -0.1477 C.2 1 UNK 0.0752 32 C25 -3.8425 -2.1742 -1.0412 C.3 1 UNK 0.0868 33 C26 -4.8389 -2.7780 -2.0077 C.3 1 UNK -0.0307 34 H 0.9163 -1.5061 2.0238 H 1 UNK 0.1493 35 H1 4.5896 1.1677 -2.6306 H 1 UNK 0.0464 36 H2 4.7136 0.1576 -1.2006 H 1 UNK 0.0464 37 H3 1.0287 1.9875 -1.7169 H 1 UNK 0.0464 38 H4 2.2172 2.3472 -2.9577 H 1 UNK 0.0464 39 H5 5.8252 2.3672 -0.9522 H 1 UNK 0.0280 40 H6 4.5564 2.0651 0.2321 H 1 UNK 0.0280 41 H7 2.2929 3.2099 -0.0830 H 1 UNK 0.0280 42 H8 2.0848 4.2302 -1.5057 H 1 UNK 0.0280 43 H9 4.3199 3.7609 -2.2314 H 1 UNK 0.0266 44 H10 4.3684 4.3253 -0.5730 H 1 UNK 0.0266 45 H11 2.8866 0.1250 0.6217 H 1 UNK 0.0549 46 H12 4.2638 -1.8490 0.7338 H 1 UNK 0.0289 47 H13 2.8780 -2.7235 1.4573 H 1 UNK 0.0289 48 H14 2.9770 -1.3825 3.3968 H 1 UNK 0.0296 49 H15 2.0721 -0.0378 -3.8563 H 1 UNK 0.0636 50 H16 1.3140 -3.0971 -0.1653 H 1 UNK 0.0621 51 H17 5.3447 0.0227 2.2107 H 1 UNK 0.0232 52 H18 4.7311 0.2394 3.8323 H 1 UNK 0.0232 53 H19 3.7605 0.7165 2.4599 H 1 UNK 0.0232 54 H20 5.7211 -2.4280 2.6679 H 1 UNK 0.0232 55 H21 4.4091 -3.3965 3.2953 H 1 UNK 0.0232 56 H22 5.1434 -2.1669 4.2962 H 1 UNK 0.0232 57 H23 1.0922 -2.2185 -4.2732 H 1 UNK 0.0618 58 H24 0.7116 -3.7504 -2.4298 H 1 UNK 0.0618 59 H25 -0.6689 0.9730 3.2864 H 1 UNK 0.0407 60 H26 -0.7302 -0.7458 2.8442 H 1 UNK 0.0407 61 H27 -2.2801 -1.5525 1.2456 H 1 UNK 0.0657 62 H28 -2.1426 2.5349 2.1963 H 1 UNK 0.0621 63 H29 -4.2748 2.8691 1.0773 H 1 UNK 0.0625 64 H30 -3.2435 -2.9501 -0.6123 H 1 UNK 0.0694 65 H31 -3.2077 -1.4862 -1.5595 H 1 UNK 0.0694 66 H32 -5.4712 -3.4651 -1.4852 H 1 UNK 0.0262 67 H33 -4.3145 -3.2953 -2.7838 H 1 UNK 0.0262 68 H34 -5.4353 -2.0004 -2.4373 H 1 UNK 0.0262 @BOND 1 1 23 2 2 2 28 1 3 2 32 1 4 3 31 ar 5 4 31 ar 6 5 7 1 7 5 8 1 8 5 13 1 9 6 12 1 10 6 23 am 11 7 9 1 12 8 10 1 13 9 11 1 14 10 11 1 15 12 14 1 16 12 15 1 17 13 14 ar 18 13 17 ar 19 14 18 ar 20 15 16 1 21 16 19 1 22 16 20 1 23 17 21 ar 24 18 22 ar 25 21 22 ar 26 23 24 1 27 24 25 1 28 25 26 ar 29 25 27 ar 30 26 28 ar 31 27 29 ar 32 28 30 ar 33 29 30 ar 34 30 31 1 35 32 33 1 36 6 34 1 37 7 35 1 38 7 36 1 39 8 37 1 40 8 38 1 41 9 39 1 42 9 40 1 43 10 41 1 44 10 42 1 45 11 43 1 46 11 44 1 47 12 45 1 48 15 46 1 49 15 47 1 50 16 48 1 51 17 49 1 52 18 50 1 53 19 51 1 54 19 52 1 55 19 53 1 56 20 54 1 57 20 55 1 58 20 56 1 59 21 57 1 60 22 58 1 61 24 59 1 62 24 60 1 63 26 61 1 64 27 62 1 65 29 63 1 66 32 64 1 67 32 65 1 68 33 66 1 69 33 67 1 70 33 68 1