@MOLECULE FDBD01758 65 67 0 0 0 SMALL GASTEIGER @ATOM 1 O 3.4697 -1.7126 0.4288 O.3 1 UNK -0.4590 2 O1 -0.5278 2.7807 -0.7575 O.3 1 UNK -0.4571 3 O2 3.8098 -0.7546 2.5087 O.2 1 UNK -0.2452 4 O3 -0.0780 3.6472 1.3417 O.2 1 UNK -0.2452 5 O4 2.3110 -4.0217 -0.6595 O.3 1 UNK -0.3796 6 O5 -2.6025 -3.0874 -0.2628 O.2 1 UNK -0.3961 7 O6 -2.0909 -2.1332 1.6468 O.2 1 UNK -0.1300 8 N 3.8307 2.5358 -0.5249 N.pl3 1 UNK -0.3207 9 N1 -1.9065 -2.2940 0.4160 N.4 1 UNK 0.0060 10 C 1.7561 1.0093 0.6555 C.3 1 UNK 0.0507 11 C1 3.2212 0.5593 0.6260 C.2 1 UNK 0.0652 12 C2 1.5590 2.4348 0.1300 C.2 1 UNK 0.0652 13 C3 0.9106 0.0512 -0.1336 C.ar 1 UNK -0.0329 14 C4 4.1751 1.3168 0.0379 C.2 1 UNK 0.0157 15 C5 2.5738 3.1138 -0.4509 C.2 1 UNK 0.0157 16 C6 -0.0928 -0.6675 0.5054 C.ar 1 UNK -0.0275 17 C7 3.5386 -0.6974 1.3235 C.2 1 UNK 0.3376 18 C8 1.1394 -0.1056 -1.4955 C.ar 1 UNK -0.0575 19 C9 0.2308 3.0350 0.3360 C.2 1 UNK 0.3378 20 C10 5.6302 0.9512 -0.0791 C.3 1 UNK -0.0260 21 C11 2.4741 4.4934 -1.0437 C.3 1 UNK -0.0260 22 C12 -0.8787 -1.5563 -0.2282 C.ar 1 UNK 0.1219 23 C13 0.3536 -0.9943 -2.2290 C.ar 1 UNK -0.0593 24 C14 -0.6555 -1.7195 -1.5955 C.ar 1 UNK -0.0316 25 C15 3.7547 -3.0105 0.9605 C.3 1 UNK 0.1160 26 C16 -1.8586 3.3053 -0.7082 C.3 1 UNK 0.1113 27 C17 3.6391 -4.0366 -0.1502 C.3 1 UNK 0.0815 28 C18 -2.7573 2.2781 -0.0980 C.2 1 UNK -0.0465 29 C19 -3.7991 1.7327 -0.7449 C.2 1 UNK -0.0554 30 C20 -4.7014 0.7090 -0.1913 C.ar 1 UNK -0.0252 31 C21 2.1502 -4.9515 -1.7215 C.3 1 UNK 0.0366 32 C22 -4.7769 0.5412 1.1825 C.ar 1 UNK -0.0546 33 C23 -5.4585 -0.0679 -1.0540 C.ar 1 UNK -0.0546 34 C24 -5.6312 -0.4287 1.7070 C.ar 1 UNK -0.0612 35 C25 -6.3129 -1.0376 -0.5293 C.ar 1 UNK -0.0612 36 C26 -6.3992 -1.2179 0.8512 C.ar 1 UNK -0.0617 37 H -3.2846 -3.5814 0.1479 H 1 UNK 0.3292 38 H1 4.5306 3.0269 -1.0130 H 1 UNK 0.1516 39 H2 1.4510 1.0105 1.6811 H 1 UNK 0.0451 40 H3 -0.2555 -0.5443 1.5170 H 1 UNK 0.0643 41 H4 1.8866 0.4326 -1.9614 H 1 UNK 0.0621 42 H5 6.1543 1.7322 -0.5893 H 1 UNK 0.0290 43 H6 5.7255 0.0388 -0.6298 H 1 UNK 0.0290 44 H7 6.0454 0.8227 0.8986 H 1 UNK 0.0290 45 H8 3.4274 4.7839 -1.4333 H 1 UNK 0.0290 46 H9 2.1722 5.1862 -0.2862 H 1 UNK 0.0290 47 H10 1.7518 4.4911 -1.8331 H 1 UNK 0.0290 48 H11 0.5188 -1.1153 -3.2405 H 1 UNK 0.0618 49 H12 -1.2370 -2.3769 -2.1384 H 1 UNK 0.0640 50 H13 3.0551 -3.2416 1.7364 H 1 UNK 0.0721 51 H14 4.7455 -3.0256 1.3643 H 1 UNK 0.0721 52 H15 -2.1927 3.5329 -1.6989 H 1 UNK 0.0743 53 H16 -1.8761 4.1996 -0.1209 H 1 UNK 0.0743 54 H17 4.3264 -3.7955 -0.9340 H 1 UNK 0.0593 55 H18 3.8684 -5.0095 0.2317 H 1 UNK 0.0593 56 H19 -2.5670 1.9731 0.8693 H 1 UNK 0.0606 57 H20 -3.9825 2.0567 -1.7074 H 1 UNK 0.0621 58 H21 1.1425 -4.9135 -2.0793 H 1 UNK 0.0524 59 H22 2.3661 -5.9379 -1.3677 H 1 UNK 0.0524 60 H23 2.8209 -4.7033 -2.5174 H 1 UNK 0.0524 61 H24 -4.2066 1.1281 1.8112 H 1 UNK 0.0623 62 H25 -5.3908 0.0697 -2.0745 H 1 UNK 0.0623 63 H26 -5.6950 -0.5623 2.7283 H 1 UNK 0.0618 64 H27 -6.8812 -1.6217 -1.1625 H 1 UNK 0.0618 65 H28 -7.0314 -1.9353 1.2393 H 1 UNK 0.0618 @BOND 1 1 17 1 2 1 25 1 3 2 19 1 4 2 26 1 5 3 17 2 6 4 19 2 7 5 27 1 8 5 31 1 9 6 9 1 10 7 9 2 11 8 14 1 12 8 15 1 13 9 22 1 14 10 11 1 15 10 12 1 16 10 13 1 17 11 14 2 18 11 17 1 19 12 15 2 20 12 19 1 21 13 16 ar 22 13 18 ar 23 14 20 1 24 15 21 1 25 16 22 ar 26 18 23 ar 27 22 24 ar 28 23 24 ar 29 25 27 1 30 26 28 1 31 28 29 2 32 29 30 1 33 30 32 ar 34 30 33 ar 35 32 34 ar 36 33 35 ar 37 34 36 ar 38 35 36 ar 39 6 37 1 40 8 38 1 41 10 39 1 42 16 40 1 43 18 41 1 44 20 42 1 45 20 43 1 46 20 44 1 47 21 45 1 48 21 46 1 49 21 47 1 50 23 48 1 51 24 49 1 52 25 50 1 53 25 51 1 54 26 52 1 55 26 53 1 56 27 54 1 57 27 55 1 58 28 56 1 59 29 57 1 60 31 58 1 61 31 59 1 62 31 60 1 63 32 61 1 64 33 62 1 65 34 63 1 66 35 64 1 67 36 65 1