@MOLECULE FDBD01120 53 54 0 0 0 SMALL GASTEIGER @ATOM 1 O -2.6033 -1.5449 -0.2881 O.3 1 UNK -0.4892 2 O1 -5.0952 -0.4214 0.2214 O.3 1 UNK -0.3831 3 O2 2.1058 0.5651 2.1928 O.3 1 UNK -0.4914 4 O3 3.7130 -0.0682 0.0157 O.3 1 UNK -0.4915 5 N -2.2548 1.9479 0.0508 N.4 1 UNK 0.2291 6 C -3.4857 1.2697 -0.3320 C.3 1 UNK -0.0038 7 C1 -3.9058 0.2161 0.6958 C.3 1 UNK 0.1285 8 C2 -1.8476 2.9039 -0.9699 C.3 1 UNK -0.0295 9 C3 -0.5494 3.6083 -0.5740 C.3 1 UNK 0.0127 10 C4 0.5854 2.6282 -0.4139 C.ar 1 UNK -0.0387 11 C5 -2.8425 -0.8538 0.9340 C.3 1 UNK 0.1204 12 C6 0.8278 2.0391 0.8271 C.ar 1 UNK -0.0129 13 C7 1.3927 2.3109 -1.5063 C.ar 1 UNK -0.0547 14 C8 1.8775 1.1326 0.9756 C.ar 1 UNK 0.1617 15 C9 2.4425 1.4046 -1.3577 C.ar 1 UNK -0.0160 16 C10 2.6849 0.8155 -0.1167 C.ar 1 UNK 0.1615 17 C11 -1.3397 -2.0362 -0.4799 C.ar 1 UNK 0.1209 18 C12 -0.5690 -2.4260 0.6154 C.ar 1 UNK -0.0170 19 C13 0.7184 -2.9257 0.4198 C.ar 1 UNK -0.0470 20 C14 -0.8229 -2.1463 -1.7709 C.ar 1 UNK -0.0199 21 C15 1.2352 -3.0358 -0.8711 C.ar 1 UNK -0.0586 22 C16 0.4646 -2.6461 -1.9665 C.ar 1 UNK -0.0581 23 C17 1.5427 -3.3422 1.5906 C.3 1 UNK -0.0396 24 C18 1.2351 0.9425 3.2575 C.3 1 UNK 0.0790 25 C19 4.4903 -0.3377 -1.1495 C.3 1 UNK 0.0790 26 H -5.7803 0.2473 0.0656 H 1 UNK 0.2102 27 H1 -1.5162 1.2552 0.1729 H 1 UNK 0.2014 28 H2 -2.4186 2.4522 0.9221 H 1 UNK 0.2014 29 H3 -3.3359 0.7899 -1.2766 H 1 UNK 0.0840 30 H4 -4.2625 2.0034 -0.3883 H 1 UNK 0.0840 31 H5 -4.0589 0.7197 1.6274 H 1 UNK 0.0681 32 H6 -2.6192 3.6351 -1.0923 H 1 UNK 0.0817 33 H7 -1.6833 2.3756 -1.8857 H 1 UNK 0.0817 34 H8 -0.7004 4.1197 0.3537 H 1 UNK 0.0365 35 H9 -0.2909 4.2967 -1.3512 H 1 UNK 0.0365 36 H10 -1.9371 -0.3924 1.2691 H 1 UNK 0.0725 37 H11 -3.1808 -1.5421 1.6801 H 1 UNK 0.0725 38 H12 0.2305 2.2739 1.6353 H 1 UNK 0.0658 39 H13 1.2133 2.7467 -2.4244 H 1 UNK 0.0621 40 H14 3.0399 1.1699 -2.1658 H 1 UNK 0.0655 41 H15 -0.9513 -2.3447 1.5705 H 1 UNK 0.0657 42 H16 -1.3931 -1.8580 -2.5813 H 1 UNK 0.0654 43 H17 2.1877 -3.4056 -1.0157 H 1 UNK 0.0620 44 H18 0.8470 -2.7275 -2.9216 H 1 UNK 0.0619 45 H19 0.9866 -3.1873 2.4915 H 1 UNK 0.0278 46 H20 2.4397 -2.7597 1.6206 H 1 UNK 0.0278 47 H21 1.7933 -4.3785 1.4998 H 1 UNK 0.0278 48 H22 1.5214 0.4289 4.1514 H 1 UNK 0.0660 49 H23 0.2284 0.6832 3.0040 H 1 UNK 0.0660 50 H24 1.3023 1.9986 3.4159 H 1 UNK 0.0660 51 H25 5.2590 -1.0426 -0.9103 H 1 UNK 0.0660 52 H26 4.9353 0.5703 -1.4993 H 1 UNK 0.0660 53 H27 3.8597 -0.7430 -1.9130 H 1 UNK 0.0660 @BOND 1 1 11 1 2 1 17 1 3 2 7 1 4 3 14 1 5 3 24 1 6 4 16 1 7 4 25 1 8 5 6 1 9 5 8 1 10 6 7 1 11 7 11 1 12 8 9 1 13 9 10 1 14 10 12 ar 15 10 13 ar 16 12 14 ar 17 13 15 ar 18 14 16 ar 19 15 16 ar 20 17 18 ar 21 17 20 ar 22 18 19 ar 23 19 21 ar 24 19 23 1 25 20 22 ar 26 21 22 ar 27 2 26 1 28 5 27 1 29 5 28 1 30 6 29 1 31 6 30 1 32 7 31 1 33 8 32 1 34 8 33 1 35 9 34 1 36 9 35 1 37 11 36 1 38 11 37 1 39 12 38 1 40 13 39 1 41 15 40 1 42 18 41 1 43 20 42 1 44 21 43 1 45 22 44 1 46 23 45 1 47 23 46 1 48 23 47 1 49 24 48 1 50 24 49 1 51 24 50 1 52 25 51 1 53 25 52 1 54 25 53 1