@MOLECULE FDBD01331 61 61 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.2472 1.7855 -0.0563 O.3 1 UNK -0.4885 2 O1 4.9917 2.2178 -0.1686 O.3 1 UNK -0.3831 3 O2 -3.9408 0.2241 -1.5792 O.2 1 UNK -0.2523 4 O3 1.8337 1.1403 -2.6272 O.2 1 UNK -0.2922 5 N 3.9244 -1.0673 1.1562 N.4 1 UNK 0.2327 6 N1 -5.1226 -0.5602 0.2502 N.am 1 UNK -0.2859 7 N2 -3.1711 0.7624 0.5543 N.am 1 UNK -0.2693 8 C 4.0026 -2.4168 0.5872 C.3 1 UNK -0.0203 9 C1 4.5009 -0.0942 0.2439 C.3 1 UNK -0.0033 10 C2 4.4408 1.3279 0.8065 C.3 1 UNK 0.1285 11 C3 3.3744 -3.4021 1.5785 C.3 1 UNK -0.0193 12 C4 3.2277 -2.4347 -0.7347 C.3 1 UNK -0.0193 13 C5 5.4716 -2.7811 0.3418 C.3 1 UNK -0.0193 14 C6 3.0229 1.7876 1.1383 C.3 1 UNK 0.1204 15 C7 0.9093 1.5276 0.0794 C.ar 1 UNK 0.1312 16 C8 0.1999 0.9040 -0.9425 C.ar 1 UNK 0.0605 17 C9 -1.8088 1.0182 0.3952 C.ar 1 UNK 0.0357 18 C10 0.2690 1.8983 1.2582 C.ar 1 UNK -0.0175 19 C11 -1.1624 0.6487 -0.7844 C.ar 1 UNK -0.0264 20 C12 -1.0932 1.6430 1.4165 C.ar 1 UNK -0.0369 21 C13 -5.2673 -0.6561 1.7013 C.3 1 UNK 0.0133 22 C14 -6.1457 -1.2396 -0.5345 C.3 1 UNK 0.0133 23 C15 -4.0574 0.1468 -0.3542 C.2 1 UNK 0.3064 24 C16 0.8564 0.5089 -2.1809 C.2 1 UNK 0.1637 25 C17 -6.1018 0.4818 2.2521 C.3 1 UNK -0.0492 26 C18 -5.7557 -2.6725 -0.8331 C.3 1 UNK -0.0492 27 C19 0.3540 -0.6981 -2.9638 C.3 1 UNK -0.0013 28 H 5.8937 1.9374 -0.3892 H 1 UNK 0.2102 29 H1 4.4367 -1.0449 2.0379 H 1 UNK 0.2020 30 H2 2.9442 -0.8321 1.3120 H 1 UNK 0.2020 31 H3 -3.5642 1.0482 1.4105 H 1 UNK 0.1564 32 H4 3.9599 -0.1234 -0.6788 H 1 UNK 0.0841 33 H5 5.5301 -0.3480 0.0985 H 1 UNK 0.0841 34 H6 4.9953 1.3345 1.7216 H 1 UNK 0.0681 35 H7 2.3503 -3.1389 1.7424 H 1 UNK 0.0287 36 H8 3.9058 -3.3621 2.5063 H 1 UNK 0.0287 37 H9 3.4284 -4.3932 1.1789 H 1 UNK 0.0287 38 H10 2.2048 -2.1793 -0.5520 H 1 UNK 0.0287 39 H11 3.2797 -3.4128 -1.1654 H 1 UNK 0.0287 40 H12 3.6575 -1.7245 -1.4098 H 1 UNK 0.0287 41 H13 6.0029 -2.7656 1.2705 H 1 UNK 0.0287 42 H14 5.9075 -2.0718 -0.3303 H 1 UNK 0.0287 43 H15 5.5296 -3.7602 -0.0860 H 1 UNK 0.0287 44 H16 2.5863 1.1201 1.8515 H 1 UNK 0.0725 45 H17 3.0486 2.7737 1.5528 H 1 UNK 0.0725 46 H18 0.8002 2.3605 2.0127 H 1 UNK 0.0655 47 H19 -1.6919 0.1865 -1.5401 H 1 UNK 0.0644 48 H20 -1.5715 1.9164 2.2892 H 1 UNK 0.0637 49 H21 -4.2966 -0.6245 2.1504 H 1 UNK 0.0462 50 H22 -5.7626 -1.5768 1.9293 H 1 UNK 0.0462 51 H23 -6.2803 -0.7162 -1.4580 H 1 UNK 0.0462 52 H24 -7.0527 -1.2498 0.0332 H 1 UNK 0.0462 53 H25 -5.6228 1.4134 2.0341 H 1 UNK 0.0245 54 H26 -6.2009 0.3710 3.3117 H 1 UNK 0.0245 55 H27 -7.0712 0.4647 1.7995 H 1 UNK 0.0245 56 H28 -4.8491 -2.6844 -1.4013 H 1 UNK 0.0245 57 H29 -6.5347 -3.1446 -1.3945 H 1 UNK 0.0245 58 H30 -5.6077 -3.2007 0.0856 H 1 UNK 0.0245 59 H31 0.9563 -0.8321 -3.8380 H 1 UNK 0.0309 60 H32 -0.6636 -0.5373 -3.2530 H 1 UNK 0.0309 61 H33 0.4165 -1.5724 -2.3502 H 1 UNK 0.0309 @BOND 1 1 14 1 2 1 15 1 3 2 10 1 4 3 23 2 5 4 24 2 6 5 8 1 7 5 9 1 8 6 21 1 9 6 22 1 10 6 23 am 11 7 17 1 12 7 23 am 13 8 11 1 14 8 12 1 15 8 13 1 16 9 10 1 17 10 14 1 18 15 16 ar 19 15 18 ar 20 16 19 ar 21 16 24 1 22 17 19 ar 23 17 20 ar 24 18 20 ar 25 21 25 1 26 22 26 1 27 24 27 1 28 2 28 1 29 5 29 1 30 5 30 1 31 7 31 1 32 9 32 1 33 9 33 1 34 10 34 1 35 11 35 1 36 11 36 1 37 11 37 1 38 12 38 1 39 12 39 1 40 12 40 1 41 13 41 1 42 13 42 1 43 13 43 1 44 14 44 1 45 14 45 1 46 18 46 1 47 19 47 1 48 20 48 1 49 21 49 1 50 21 50 1 51 22 51 1 52 22 52 1 53 25 53 1 54 25 54 1 55 25 55 1 56 26 56 1 57 26 57 1 58 26 58 1 59 27 59 1 60 27 60 1 61 27 61 1