@MOLECULE FDBD01159 60 60 0 0 0 SMALL GASTEIGER @ATOM 1 I -2.9545 -1.9438 -0.5144 I 1 UNK -0.0411 2 I1 2.8488 -0.9844 1.1155 I 1 UNK -0.0411 3 I2 -0.7347 3.7416 -0.3363 I 1 UNK -0.0422 4 O 2.4637 -4.1565 0.2374 O.3 1 UNK -0.3880 5 O1 3.7544 -4.4094 -2.2143 O.3 1 UNK -0.3924 6 O2 -0.0795 -4.3738 1.8223 O.2 1 UNK -0.2756 7 O3 5.4398 1.4649 -1.0123 O.3 1 UNK -0.3880 8 O4 -6.1465 0.2013 1.0430 O.3 1 UNK -0.3880 9 O5 2.0614 2.5447 1.7042 O.2 1 UNK -0.2701 10 O6 -3.0673 1.4236 -1.9542 O.2 1 UNK -0.2701 11 O7 7.5013 2.5964 0.4744 O.3 1 UNK -0.3924 12 O8 -8.3786 0.3833 -0.6074 O.3 1 UNK -0.3924 13 N 0.0808 -2.4811 0.4233 N.am 1 UNK -0.2671 14 N1 2.7303 2.3426 -0.5068 N.am 1 UNK -0.3088 15 N2 -3.7400 1.5941 0.2592 N.am 1 UNK -0.3088 16 C 0.4464 -3.2958 -0.7726 C.3 1 UNK 0.0480 17 C1 -0.0999 -1.1006 0.2541 C.ar 1 UNK 0.0641 18 C2 1.9542 -3.4921 -0.9194 C.3 1 UNK 0.0943 19 C3 -1.3385 -0.6039 -0.1519 C.ar 1 UNK 0.0489 20 C4 0.9590 -0.2244 0.4920 C.ar 1 UNK 0.0489 21 C5 -1.5182 0.7691 -0.3200 C.ar 1 UNK 0.0654 22 C6 0.7792 1.1486 0.3239 C.ar 1 UNK 0.0654 23 C7 -0.4593 1.6453 -0.0820 C.ar 1 UNK 0.0397 24 C8 2.3353 -4.3058 -2.1520 C.3 1 UNK 0.0716 25 C9 -0.1570 -3.1524 1.6678 C.2 1 UNK 0.2168 26 C10 1.8907 2.0680 0.5734 C.2 1 UNK 0.2462 27 C11 -2.8370 1.2974 -0.7544 C.2 1 UNK 0.2462 28 C12 3.8824 3.2103 -0.4133 C.3 1 UNK 0.0401 29 C13 -5.0647 2.0900 -0.0025 C.3 1 UNK 0.0401 30 C14 5.1591 2.4637 -0.0311 C.3 1 UNK 0.0936 31 C15 -6.0971 0.9747 -0.1565 C.3 1 UNK 0.0936 32 C16 -0.4884 -2.3071 2.8763 C.3 1 UNK 0.0127 33 C17 6.3741 3.3778 0.0903 C.3 1 UNK 0.0716 34 C18 -7.4998 1.4937 -0.4555 C.3 1 UNK 0.0716 35 H 2.2290 -3.6501 1.0307 H 1 UNK 0.2099 36 H1 4.0069 -4.9257 -2.9957 H 1 UNK 0.2095 37 H2 4.6750 0.8748 -1.1010 H 1 UNK 0.2099 38 H3 -5.2603 -0.1363 1.2468 H 1 UNK 0.2099 39 H4 8.2799 3.1694 0.5543 H 1 UNK 0.2095 40 H5 -9.2742 0.7035 -0.7980 H 1 UNK 0.2095 41 H6 2.5280 1.9249 -1.3750 H 1 UNK 0.1491 42 H7 -3.4620 1.4595 1.1940 H 1 UNK 0.1491 43 H8 0.0796 -2.8013 -1.6477 H 1 UNK 0.0495 44 H9 0.0070 -4.2635 -0.6486 H 1 UNK 0.0495 45 H10 2.3805 -2.5169 -1.0293 H 1 UNK 0.0632 46 H11 1.9062 -5.2836 -2.0839 H 1 UNK 0.0583 47 H12 1.9675 -3.8234 -3.0334 H 1 UNK 0.0583 48 H13 3.6884 3.9568 0.3283 H 1 UNK 0.0488 49 H14 4.0394 3.6410 -1.3801 H 1 UNK 0.0488 50 H15 -5.0427 2.6621 -0.9064 H 1 UNK 0.0488 51 H16 -5.3570 2.6844 0.8379 H 1 UNK 0.0488 52 H17 4.9827 2.0282 0.9302 H 1 UNK 0.0632 53 H18 -5.7851 0.3821 -0.9910 H 1 UNK 0.0632 54 H19 -0.6387 -2.9414 3.7248 H 1 UNK 0.0323 55 H20 -1.3807 -1.7478 2.6866 H 1 UNK 0.0323 56 H21 0.3196 -1.6337 3.0730 H 1 UNK 0.0323 57 H22 6.5663 3.8471 -0.8519 H 1 UNK 0.0583 58 H23 6.1883 4.1329 0.8253 H 1 UNK 0.0583 59 H24 -7.8351 2.1094 0.3528 H 1 UNK 0.0583 60 H25 -7.4884 2.0733 -1.3548 H 1 UNK 0.0583 @BOND 1 1 19 1 2 2 20 1 3 3 23 1 4 4 18 1 5 5 24 1 6 6 25 2 7 7 30 1 8 8 31 1 9 9 26 2 10 10 27 2 11 11 33 1 12 12 34 1 13 13 16 1 14 13 17 1 15 13 25 am 16 14 26 am 17 14 28 1 18 15 27 am 19 15 29 1 20 16 18 1 21 17 19 ar 22 17 20 ar 23 18 24 1 24 19 21 ar 25 20 22 ar 26 21 23 ar 27 21 27 1 28 22 23 ar 29 22 26 1 30 25 32 1 31 28 30 1 32 29 31 1 33 30 33 1 34 31 34 1 35 4 35 1 36 5 36 1 37 7 37 1 38 8 38 1 39 11 39 1 40 12 40 1 41 14 41 1 42 15 42 1 43 16 43 1 44 16 44 1 45 18 45 1 46 24 46 1 47 24 47 1 48 28 48 1 49 28 49 1 50 29 50 1 51 29 51 1 52 30 52 1 53 31 53 1 54 32 54 1 55 32 55 1 56 32 56 1 57 33 57 1 58 33 58 1 59 34 59 1 60 34 60 1