@MOLECULE FDBD02290 54 56 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2401 1.4331 2.3162 C.3 1 UNK -0.0332 2 C1 -2.4340 0.5725 1.3778 C.2 1 UNK 0.0299 3 C2 -1.4079 -0.1370 1.8414 C.2 1 UNK -0.0699 4 C3 -1.0521 -0.0797 3.3047 C.3 1 UNK -0.0028 5 C4 0.2526 -0.7491 3.7413 C.3 1 UNK 0.0688 6 C5 1.0280 -0.0997 4.8585 C.2 1 UNK 0.3116 7 O 0.5898 0.8846 5.4053 O.2 1 UNK -0.2505 8 O1 2.2054 -0.6148 5.2460 O.3 1 UNK -0.4595 9 C6 2.8970 0.0627 6.3282 C.3 1 UNK 0.1204 10 C7 4.1901 -0.6526 6.6235 C.ar 1 UNK 0.0277 11 C8 4.3759 -1.7141 7.5387 C.ar 1 UNK -0.0140 12 C9 5.6772 -2.0508 7.4860 C.ar 1 UNK 0.1095 13 C10 6.3395 -3.1380 8.2925 C.3 1 UNK 0.0307 14 C11 6.2761 -4.4373 7.5317 C.ar 1 UNK -0.0401 15 C12 5.1959 -5.2838 7.6983 C.ar 1 UNK -0.0582 16 C13 5.1377 -6.4756 7.0004 C.ar 1 UNK -0.0615 17 C14 6.1595 -6.8208 6.1357 C.ar 1 UNK -0.0617 18 C15 7.2392 -5.9740 5.9685 C.ar 1 UNK -0.0615 19 C16 7.2953 -4.7801 6.6631 C.ar 1 UNK -0.0582 20 O2 6.2859 -1.2542 6.5924 O.2 1 UNK -0.4671 21 C17 5.3879 -0.4076 6.0625 C.ar 1 UNK 0.0985 22 C18 -1.0921 -1.3902 4.0933 C.3 1 UNK -0.0144 23 C19 -1.5462 -1.3229 5.5528 C.3 1 UNK -0.0585 24 C20 -1.4898 -2.6587 3.3359 C.3 1 UNK -0.0585 25 C21 -2.7809 0.5166 -0.0490 C.2 1 UNK 0.3343 26 O3 -2.1307 -0.1775 -0.8058 O.2 1 UNK -0.2453 27 O4 -3.8202 1.2352 -0.5186 O.3 1 UNK -0.4647 28 C22 -4.1052 1.1316 -1.9386 C.3 1 UNK 0.0820 29 H -2.8443 1.3484 3.3067 H 1 UNK 0.0280 30 H1 -4.2597 1.1087 2.3106 H 1 UNK 0.0280 31 H2 -3.1887 2.4533 1.9976 H 1 UNK 0.0280 32 H3 -0.8559 -0.7264 1.1988 H 1 UNK 0.0580 33 H4 -1.4828 0.8919 3.4288 H 1 UNK 0.0357 34 H5 1.1398 -1.0770 3.2411 H 1 UNK 0.0425 35 H6 2.2802 0.0601 7.2026 H 1 UNK 0.0750 36 H7 3.1052 1.0724 6.0416 H 1 UNK 0.0750 37 H8 3.6521 -2.1475 8.1331 H 1 UNK 0.0656 38 H9 5.8321 -3.2474 9.2281 H 1 UNK 0.0392 39 H10 7.3622 -2.8780 8.4697 H 1 UNK 0.0392 40 H11 4.4330 -5.0260 8.3437 H 1 UNK 0.0620 41 H12 4.3314 -7.1076 7.1249 H 1 UNK 0.0618 42 H13 6.1162 -7.7107 5.6150 H 1 UNK 0.0618 43 H14 8.0034 -6.2331 5.3251 H 1 UNK 0.0618 44 H15 8.0981 -4.1448 6.5332 H 1 UNK 0.0620 45 H16 5.5836 0.3093 5.3464 H 1 UNK 0.1033 46 H17 -1.2181 -0.4013 5.9863 H 1 UNK 0.0235 47 H18 -1.1242 -2.1426 6.0958 H 1 UNK 0.0235 48 H19 -2.6139 -1.3777 5.5970 H 1 UNK 0.0235 49 H20 -1.1252 -2.6035 2.3315 H 1 UNK 0.0235 50 H21 -2.5560 -2.7474 3.3239 H 1 UNK 0.0235 51 H22 -1.0663 -3.5123 3.8227 H 1 UNK 0.0235 52 H23 -4.9473 1.7464 -2.1792 H 1 UNK 0.0661 53 H24 -4.3247 0.1138 -2.1850 H 1 UNK 0.0661 54 H25 -3.2536 1.4583 -2.4981 H 1 UNK 0.0661 @BOND 1 1 2 1 2 2 3 2 3 2 25 1 4 3 4 1 5 4 22 1 6 4 5 1 7 5 6 1 8 5 22 1 9 6 7 2 10 6 8 1 11 8 9 1 12 9 10 1 13 10 21 ar 14 10 11 ar 15 11 12 ar 16 12 13 1 17 12 20 ar 18 13 14 1 19 14 19 ar 20 14 15 ar 21 15 16 ar 22 16 17 ar 23 17 18 ar 24 18 19 ar 25 20 21 ar 26 22 23 1 27 22 24 1 28 25 26 2 29 25 27 1 30 27 28 1 31 1 29 1 32 1 30 1 33 1 31 1 34 3 32 1 35 4 33 1 36 5 34 1 37 9 35 1 38 9 36 1 39 11 37 1 40 13 38 1 41 13 39 1 42 15 40 1 43 16 41 1 44 17 42 1 45 18 43 1 46 19 44 1 47 21 45 1 48 23 46 1 49 23 47 1 50 23 48 1 51 24 49 1 52 24 50 1 53 24 51 1 54 28 52 1 55 28 53 1 56 28 54 1