@MOLECULE FDBD00235 57 60 0 0 0 SMALL GASTEIGER @ATOM 1 O -3.0429 0.4312 -1.1653 O.3 1 UNK -0.4500 2 O1 -4.9996 -0.8734 1.1126 O.2 1 UNK -0.2934 3 O2 6.7520 0.4726 -1.1939 O.2 1 UNK -0.2927 4 O3 -5.1842 1.2118 -0.7883 O.2 1 UNK -0.2511 5 C -1.5662 -0.6271 0.4820 C.3 1 UNK 0.0182 6 C1 -0.7674 0.6916 0.6551 C.3 1 UNK -0.0249 7 C2 0.6938 0.4441 1.0546 C.3 1 UNK -0.0155 8 C3 1.3694 -0.3792 -0.0898 C.3 1 UNK -0.0251 9 C4 -2.9682 -0.0395 0.1769 C.3 1 UNK 0.1759 10 C5 -0.9029 -1.4399 -0.6440 C.3 1 UNK -0.0430 11 C6 -1.6599 1.5215 1.5754 C.3 1 UNK -0.0450 12 C7 0.5941 -1.6892 -0.3727 C.3 1 UNK -0.0482 13 C8 2.9132 -0.5472 0.1501 C.3 1 UNK -0.0032 14 C9 -3.0965 1.1564 1.1468 C.3 1 UNK -0.0049 15 C10 -1.6193 -1.4929 1.7727 C.3 1 UNK -0.0552 16 C11 1.4654 1.7090 1.3204 C.2 1 UNK -0.0801 17 C12 3.5412 0.8464 0.3069 C.2 1 UNK -0.0382 18 C13 3.5551 -1.2532 -1.0742 C.3 1 UNK -0.0363 19 C14 -4.0857 -1.0315 0.3045 C.2 1 UNK 0.1741 20 C15 3.2053 -1.3738 1.4247 C.3 1 UNK -0.0553 21 C16 2.7470 1.8744 0.9653 C.2 1 UNK -0.0616 22 C17 5.0784 -1.2299 -1.0563 C.3 1 UNK 0.0107 23 C18 4.7642 1.1610 -0.1525 C.2 1 UNK -0.0155 24 C19 -4.0358 -2.2282 -0.6064 C.3 1 UNK -0.0020 25 C20 5.6140 0.1630 -0.8440 C.2 1 UNK 0.1564 26 C21 -4.2148 1.0403 -1.5149 C.2 1 UNK 0.3049 27 C22 -4.1498 1.4816 -2.9456 C.3 1 UNK 0.0333 28 H -0.5917 1.2495 -0.2409 H 1 UNK 0.0313 29 H1 0.7020 -0.0942 1.9793 H 1 UNK 0.0349 30 H2 1.3049 0.1752 -1.0027 H 1 UNK 0.0315 31 H3 -1.0022 -0.9013 -1.5632 H 1 UNK 0.0272 32 H4 -1.3916 -2.3903 -0.6970 H 1 UNK 0.0272 33 H5 -1.4777 2.5669 1.4379 H 1 UNK 0.0270 34 H6 -1.4789 1.3194 2.6104 H 1 UNK 0.0270 35 H7 0.6867 -2.3334 0.4766 H 1 UNK 0.0269 36 H8 1.0148 -2.1340 -1.2502 H 1 UNK 0.0269 37 H9 -3.6791 0.8802 2.0007 H 1 UNK 0.0308 38 H10 -3.5859 1.9855 0.6798 H 1 UNK 0.0308 39 H11 -2.0798 -0.9325 2.5594 H 1 UNK 0.0237 40 H12 -0.6253 -1.7632 2.0620 H 1 UNK 0.0237 41 H13 -2.1894 -2.3787 1.5848 H 1 UNK 0.0237 42 H14 0.9842 2.4863 1.7992 H 1 UNK 0.0575 43 H15 3.2188 -0.7624 -1.9635 H 1 UNK 0.0278 44 H16 3.2545 -2.2796 -1.0403 H 1 UNK 0.0278 45 H17 2.7646 -0.8909 2.2718 H 1 UNK 0.0238 46 H18 4.2632 -1.4482 1.5669 H 1 UNK 0.0238 47 H19 2.7901 -2.3541 1.3170 H 1 UNK 0.0238 48 H20 3.1962 2.7807 1.1698 H 1 UNK 0.0617 49 H21 5.4416 -1.6019 -1.9915 H 1 UNK 0.0345 50 H22 5.4111 -1.8418 -0.2440 H 1 UNK 0.0345 51 H23 5.1202 2.1206 -0.0206 H 1 UNK 0.0655 52 H24 -4.8825 -2.8549 -0.4186 H 1 UNK 0.0307 53 H25 -3.1368 -2.7788 -0.4230 H 1 UNK 0.0307 54 H26 -4.0526 -1.9018 -1.6253 H 1 UNK 0.0307 55 H27 -3.1992 1.2152 -3.3582 H 1 UNK 0.0342 56 H28 -4.2764 2.5428 -2.9976 H 1 UNK 0.0342 57 H29 -4.9274 1.0019 -3.5025 H 1 UNK 0.0342 @BOND 1 1 9 1 2 1 26 1 3 2 19 2 4 3 25 2 5 4 26 2 6 5 6 1 7 5 9 1 8 5 10 1 9 5 15 1 10 6 7 1 11 6 11 1 12 7 8 1 13 7 16 1 14 8 12 1 15 8 13 1 16 9 14 1 17 9 19 1 18 10 12 1 19 11 14 1 20 13 17 1 21 13 18 1 22 13 20 1 23 16 21 2 24 17 21 1 25 17 23 2 26 18 22 1 27 19 24 1 28 22 25 1 29 23 25 1 30 26 27 1 31 6 28 1 32 7 29 1 33 8 30 1 34 10 31 1 35 10 32 1 36 11 33 1 37 11 34 1 38 12 35 1 39 12 36 1 40 14 37 1 41 14 38 1 42 15 39 1 43 15 40 1 44 15 41 1 45 16 42 1 46 18 43 1 47 18 44 1 48 20 45 1 49 20 46 1 50 20 47 1 51 21 48 1 52 22 49 1 53 22 50 1 54 23 51 1 55 24 52 1 56 24 53 1 57 24 54 1 58 27 55 1 59 27 56 1 60 27 57 1