@MOLECULE FDBD01987 49 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.1184 1.5098 -0.0248 C.3 1 UNK -0.0306 2 C1 -0.1125 -0.0200 -0.0511 C.3 1 UNK 0.0900 3 O 0.6120 -0.4739 -1.1962 O.3 1 UNK -0.4618 4 C2 0.7120 -1.8085 -1.3683 C.2 1 UNK 0.3322 5 O1 0.1975 -2.5654 -0.5670 O.2 1 UNK -0.2456 6 C3 1.4168 -2.3286 -2.4833 C.2 1 UNK 0.0254 7 C4 1.6226 -3.6613 -2.5917 C.2 1 UNK -0.0440 8 C5 1.2499 -4.5763 -1.4538 C.3 1 UNK -0.0395 9 C6 2.2068 -4.2142 -3.8137 C.2 1 UNK -0.0625 10 C7 2.4098 -5.5287 -3.9207 C.2 1 UNK -0.0835 11 C8 3.0116 -6.0983 -5.1794 C.3 1 UNK -0.0319 12 C9 4.2512 -6.9220 -4.8247 C.3 1 UNK -0.0404 13 C10 3.8357 -8.1350 -3.9899 C.3 1 UNK -0.0621 14 C11 4.9331 -7.3965 -6.1095 C.3 1 UNK -0.0502 15 C12 6.2387 -8.1131 -5.7592 C.3 1 UNK -0.0526 16 C13 6.9206 -8.5876 -7.0440 C.3 1 UNK -0.0507 17 C14 8.2262 -9.3043 -6.6937 C.3 1 UNK -0.0467 18 C15 7.9133 -10.5787 -5.9071 C.3 1 UNK -0.0627 19 C16 8.9691 -9.6687 -7.9806 C.3 1 UNK -0.0627 20 H -0.6609 1.8497 0.8326 H 1 UNK 0.0262 21 H1 -0.5866 1.8800 -0.9129 H 1 UNK 0.0262 22 H2 0.8881 1.8696 0.0243 H 1 UNK 0.0262 23 H3 -1.1190 -0.3798 -0.1002 H 1 UNK 0.0695 24 H4 0.3557 -0.3902 0.8370 H 1 UNK 0.0695 25 H5 1.7728 -1.6905 -3.2121 H 1 UNK 0.0691 26 H6 0.8406 -3.9990 -0.6513 H 1 UNK 0.0278 27 H7 2.1218 -5.0940 -1.1122 H 1 UNK 0.0278 28 H8 0.5227 -5.2856 -1.7900 H 1 UNK 0.0278 29 H9 2.4619 -3.5876 -4.5930 H 1 UNK 0.0617 30 H10 2.1547 -6.1553 -3.1414 H 1 UNK 0.0572 31 H11 3.2897 -5.2996 -5.8349 H 1 UNK 0.0310 32 H12 2.2939 -6.7254 -5.6657 H 1 UNK 0.0310 33 H13 4.9318 -6.3179 -4.2619 H 1 UNK 0.0301 34 H14 3.1551 -8.7391 -4.5527 H 1 UNK 0.0233 35 H15 3.3588 -7.8031 -3.0914 H 1 UNK 0.0233 36 H16 4.7026 -8.7111 -3.7418 H 1 UNK 0.0233 37 H17 5.1453 -6.5533 -6.7331 H 1 UNK 0.0268 38 H18 4.2847 -8.0704 -6.6295 H 1 UNK 0.0268 39 H19 6.0265 -8.9563 -5.1356 H 1 UNK 0.0265 40 H20 6.8871 -7.4392 -5.2392 H 1 UNK 0.0265 41 H21 7.1328 -7.7443 -7.6675 H 1 UNK 0.0268 42 H22 6.2722 -9.2615 -7.5640 H 1 UNK 0.0268 43 H23 8.8386 -8.6593 -6.0988 H 1 UNK 0.0295 44 H24 7.3009 -11.2237 -6.5020 H 1 UNK 0.0232 45 H25 7.3938 -10.3238 -5.0071 H 1 UNK 0.0232 46 H26 8.8264 -11.0799 -5.6621 H 1 UNK 0.0232 47 H27 8.3567 -10.3137 -8.5755 H 1 UNK 0.0232 48 H28 9.8822 -10.1699 -7.7356 H 1 UNK 0.0232 49 H29 9.1880 -8.7774 -8.5307 H 1 UNK 0.0232 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 2 5 4 6 1 6 6 7 2 7 7 8 1 8 7 9 1 9 9 10 2 10 10 11 1 11 11 12 1 12 12 13 1 13 12 14 1 14 14 15 1 15 15 16 1 16 16 17 1 17 17 18 1 18 17 19 1 19 1 20 1 20 1 21 1 21 1 22 1 22 2 23 1 23 2 24 1 24 6 25 1 25 8 26 1 26 8 27 1 27 8 28 1 28 9 29 1 29 10 30 1 30 11 31 1 31 11 32 1 32 12 33 1 33 13 34 1 34 13 35 1 35 13 36 1 36 14 37 1 37 14 38 1 38 15 39 1 39 15 40 1 40 16 41 1 41 16 42 1 42 17 43 1 43 18 44 1 44 18 45 1 45 18 46 1 46 19 47 1 47 19 48 1 48 19 49 1