@MOLECULE FDBD00762 67 68 0 0 0 SMALL GASTEIGER @ATOM 1 O -5.2190 1.6463 -1.6539 O.3 1 UNK -0.3914 2 O1 -6.1643 -1.1752 0.3261 O.3 1 UNK -0.3911 3 O2 -1.8815 -4.4202 1.2771 O.3 1 UNK -0.3878 4 O3 4.0697 2.5762 -0.5249 O.2 1 UNK -0.2758 5 N 4.4726 1.3063 1.3783 N.am 1 UNK -0.3156 6 C -3.4651 1.1445 -0.0066 C.3 1 UNK -0.0029 7 C1 -3.8968 -0.3233 0.1417 C.3 1 UNK 0.0087 8 C2 -4.7922 1.8462 -0.3116 C.3 1 UNK 0.0613 9 C3 -5.2464 -0.2386 0.8765 C.3 1 UNK 0.0641 10 C4 -5.7733 1.1891 0.6586 C.3 1 UNK 0.0001 11 C5 -2.4044 1.3592 -1.0749 C.3 1 UNK -0.0290 12 C6 -2.9049 -1.1672 0.8800 C.2 1 UNK -0.0796 13 C7 -2.0613 2.8120 -1.2216 C.2 1 UNK -0.0876 14 C8 -2.3328 -2.2670 0.3687 C.2 1 UNK -0.0595 15 C9 -1.3378 -3.1118 1.1153 C.3 1 UNK 0.0737 16 C10 -1.0675 3.4149 -0.5525 C.2 1 UNK -0.0879 17 C11 -0.0173 -3.2109 0.3377 C.3 1 UNK -0.0193 18 C12 -0.1740 2.7105 0.4274 C.3 1 UNK -0.0343 19 C13 0.8522 -1.9473 0.4222 C.3 1 UNK -0.0250 20 C14 1.2942 2.7968 -0.0020 C.3 1 UNK -0.0414 21 C15 2.1056 -2.0143 -0.4134 C.ar 1 UNK -0.0473 22 C16 2.2193 2.0212 0.9353 C.3 1 UNK 0.0242 23 C17 3.2839 -2.5202 0.1358 C.ar 1 UNK -0.0586 24 C18 2.0869 -1.5708 -1.7359 C.ar 1 UNK -0.0586 25 C19 3.6749 2.0217 0.4971 C.2 1 UNK 0.2130 26 C20 4.4433 -2.5823 -0.6371 C.ar 1 UNK -0.0615 27 C21 3.2465 -1.6331 -2.5088 C.ar 1 UNK -0.0615 28 C22 4.4246 -2.1390 -1.9594 C.ar 1 UNK -0.0617 29 C23 5.8941 1.1271 1.1903 C.3 1 UNK 0.0088 30 C24 6.6711 2.3492 1.6344 C.3 1 UNK -0.0495 31 H -4.5891 2.0673 -2.2596 H 1 UNK 0.2098 32 H1 -5.8300 -2.0752 0.4646 H 1 UNK 0.2098 33 H2 -2.7164 -4.3650 1.7679 H 1 UNK 0.2102 34 H3 4.0499 0.9012 2.1698 H 1 UNK 0.1487 35 H4 -2.9783 1.5295 0.8650 H 1 UNK 0.0335 36 H5 -3.9691 -0.8087 -0.8091 H 1 UNK 0.0372 37 H6 -4.7142 2.9073 -0.1985 H 1 UNK 0.0597 38 H7 -5.1314 -0.4610 1.9168 H 1 UNK 0.0600 39 H8 -6.7560 1.1640 0.2361 H 1 UNK 0.0315 40 H9 -5.8420 1.7303 1.5791 H 1 UNK 0.0315 41 H10 -2.7730 0.9924 -2.0101 H 1 UNK 0.0311 42 H11 -1.5203 0.8324 -0.7822 H 1 UNK 0.0311 43 H12 -2.6462 -0.8861 1.8387 H 1 UNK 0.0573 44 H13 -2.6223 3.3805 -1.8751 H 1 UNK 0.0569 45 H14 -2.5896 -2.5492 -0.5902 H 1 UNK 0.0594 46 H15 -1.1420 -2.6624 2.0664 H 1 UNK 0.0638 47 H16 -0.9078 4.4205 -0.7207 H 1 UNK 0.0569 48 H17 -0.2455 -3.3944 -0.6914 H 1 UNK 0.0296 49 H18 0.5455 -4.0050 0.7821 H 1 UNK 0.0296 50 H19 -0.4612 1.6814 0.4846 H 1 UNK 0.0307 51 H20 -0.2769 3.1839 1.3814 H 1 UNK 0.0307 52 H21 1.1351 -1.8001 1.4436 H 1 UNK 0.0314 53 H22 0.2652 -1.1388 0.0393 H 1 UNK 0.0314 54 H23 1.5916 3.8246 -0.0061 H 1 UNK 0.0273 55 H24 1.3763 2.3623 -0.9763 H 1 UNK 0.0273 56 H25 1.8808 1.0072 0.9809 H 1 UNK 0.0358 57 H26 2.1795 2.5086 1.8870 H 1 UNK 0.0358 58 H27 3.2978 -2.8486 1.1141 H 1 UNK 0.0620 59 H28 1.2153 -1.1966 -2.1424 H 1 UNK 0.0620 60 H29 5.3150 -2.9563 -0.2306 H 1 UNK 0.0618 61 H30 3.2328 -1.3049 -3.4871 H 1 UNK 0.0618 62 H31 5.2824 -2.1853 -2.5313 H 1 UNK 0.0618 63 H32 6.0880 0.9497 0.1531 H 1 UNK 0.0459 64 H33 6.2091 0.2948 1.7844 H 1 UNK 0.0459 65 H34 6.3703 3.1944 1.0513 H 1 UNK 0.0245 66 H35 7.7180 2.1756 1.4971 H 1 UNK 0.0245 67 H36 6.4739 2.5409 2.6685 H 1 UNK 0.0245 @BOND 1 1 8 1 2 2 9 1 3 3 15 1 4 4 25 2 5 5 25 am 6 5 29 1 7 6 7 1 8 6 8 1 9 6 11 1 10 7 9 1 11 7 12 1 12 8 10 1 13 9 10 1 14 11 13 1 15 12 14 2 16 13 16 2 17 14 15 1 18 15 17 1 19 16 18 1 20 17 19 1 21 18 20 1 22 19 21 1 23 20 22 1 24 21 23 ar 25 21 24 ar 26 22 25 1 27 23 26 ar 28 24 27 ar 29 26 28 ar 30 27 28 ar 31 29 30 1 32 1 31 1 33 2 32 1 34 3 33 1 35 5 34 1 36 6 35 1 37 7 36 1 38 8 37 1 39 9 38 1 40 10 39 1 41 10 40 1 42 11 41 1 43 11 42 1 44 12 43 1 45 13 44 1 46 14 45 1 47 15 46 1 48 16 47 1 49 17 48 1 50 17 49 1 51 18 50 1 52 18 51 1 53 19 52 1 54 19 53 1 55 20 54 1 56 20 55 1 57 22 56 1 58 22 57 1 59 23 58 1 60 24 59 1 61 26 60 1 62 27 61 1 63 28 62 1 64 29 63 1 65 29 64 1 66 30 65 1 67 30 66 1 68 30 67 1