@MOLECULE FDBD02294 51 53 0 0 0 SMALL USER_CHARGES @ATOM 1 C -3.2244 1.4325 2.3054 C.3 1 UNK -0.0440 2 C1 -2.4182 0.5719 1.3671 C.2 1 UNK -0.0793 3 C2 -1.4082 -0.1264 1.8234 C.2 1 UNK -0.0809 4 C3 -1.0524 -0.0691 3.2867 C.3 1 UNK -0.0033 5 C4 0.2523 -0.7386 3.7233 C.3 1 UNK 0.0688 6 C5 1.0277 -0.0892 4.8405 C.2 1 UNK 0.3116 7 O 0.5895 0.8951 5.3874 O.2 1 UNK -0.2505 8 O1 2.2050 -0.6043 5.2281 O.3 1 UNK -0.4595 9 C6 2.8967 0.0731 6.3102 C.3 1 UNK 0.1204 10 C7 4.1898 -0.6421 6.6055 C.ar 1 UNK 0.0277 11 C8 4.3756 -1.7036 7.5208 C.ar 1 UNK -0.0140 12 C9 5.6768 -2.0404 7.4681 C.ar 1 UNK 0.1095 13 C10 6.3392 -3.1275 8.2746 C.3 1 UNK 0.0307 14 C11 6.2757 -4.4269 7.5138 C.ar 1 UNK -0.0401 15 C12 5.1956 -5.2733 7.6803 C.ar 1 UNK -0.0582 16 C13 5.1374 -6.4651 6.9825 C.ar 1 UNK -0.0615 17 C14 6.1591 -6.8103 6.1177 C.ar 1 UNK -0.0617 18 C15 7.2389 -5.9635 5.9505 C.ar 1 UNK -0.0615 19 C16 7.2950 -4.7696 6.6451 C.ar 1 UNK -0.0582 20 O2 6.2855 -1.2437 6.5745 O.2 1 UNK -0.4671 21 C17 5.3876 -0.3971 6.0445 C.ar 1 UNK 0.0985 22 C18 -1.0924 -1.3796 4.0753 C.3 1 UNK -0.0144 23 C19 -1.5466 -1.3124 5.5348 C.3 1 UNK -0.0585 24 C20 -1.4901 -2.6482 3.3179 C.3 1 UNK -0.0585 25 C21 -2.7740 0.5146 -0.0962 C.3 1 UNK -0.0440 26 H -2.8286 1.3479 3.2959 H 1 UNK 0.0274 27 H1 -4.2440 1.1080 2.2998 H 1 UNK 0.0274 28 H2 -3.1730 2.4526 1.9867 H 1 UNK 0.0274 29 H3 -0.8561 -0.7158 1.1808 H 1 UNK 0.0575 30 H4 -1.4831 0.9025 3.4108 H 1 UNK 0.0356 31 H5 1.1395 -1.0665 3.2231 H 1 UNK 0.0425 32 H6 2.2800 0.0705 7.1846 H 1 UNK 0.0750 33 H7 3.1050 1.0827 6.0235 H 1 UNK 0.0750 34 H8 3.6518 -2.1369 8.1153 H 1 UNK 0.0656 35 H9 5.8319 -3.2369 9.2103 H 1 UNK 0.0392 36 H10 7.3619 -2.8674 8.4517 H 1 UNK 0.0392 37 H11 4.4326 -5.0154 8.3256 H 1 UNK 0.0620 38 H12 4.3312 -7.0972 7.1071 H 1 UNK 0.0618 39 H13 6.1157 -7.7002 5.5969 H 1 UNK 0.0618 40 H14 8.0031 -6.2226 5.3072 H 1 UNK 0.0618 41 H15 8.0977 -4.1342 6.5151 H 1 UNK 0.0620 42 H16 5.5834 0.3197 5.3284 H 1 UNK 0.1033 43 H17 -1.2186 -0.3908 5.9683 H 1 UNK 0.0235 44 H18 -1.1246 -2.1321 6.0778 H 1 UNK 0.0235 45 H19 -2.6143 -1.3673 5.5790 H 1 UNK 0.0235 46 H20 -1.1254 -2.5930 2.3135 H 1 UNK 0.0235 47 H21 -2.5563 -2.7369 3.3059 H 1 UNK 0.0235 48 H22 -1.0666 -3.5018 3.8047 H 1 UNK 0.0235 49 H23 -3.6188 1.1442 -0.2827 H 1 UNK 0.0274 50 H24 -3.0134 -0.4928 -0.3659 H 1 UNK 0.0274 51 H25 -1.9424 0.8518 -0.6789 H 1 UNK 0.0274 @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 1 26 1 29 1 27 1 30 1 28 1 31 3 29 1 32 4 30 1 33 5 31 1 34 9 32 1 35 9 33 1 36 11 34 1 37 13 35 1 38 13 36 1 39 15 37 1 40 16 38 1 41 17 39 1 42 18 40 1 43 19 41 1 44 21 42 1 45 23 43 1 46 23 44 1 47 23 45 1 48 24 46 1 49 24 47 1 50 24 48 1 51 25 49 1 52 25 50 1 53 25 51 1