@MOLECULE FDBD02003 42 44 0 0 0 SMALL USER_CHARGES @ATOM 1 C -4.8727 1.5341 0.1091 C.3 1 UNK -0.0607 2 C1 -4.2189 0.1558 -0.0088 C.3 1 UNK -0.0044 3 C2 -5.2422 -0.9259 0.3428 C.3 1 UNK 0.1596 4 O -6.2657 -0.9846 -0.6654 O.3 1 UNK -0.3486 5 C3 -6.6390 -2.3668 -0.8094 C.3 1 UNK 0.0801 6 C4 -5.7210 -3.1349 0.1666 C.3 1 UNK 0.1188 7 C5 -5.2465 -4.4490 -0.4569 C.3 1 UNK 0.1179 8 O1 -4.4969 -5.1906 0.5076 O.3 1 UNK -0.4893 9 C6 -3.9992 -6.3924 0.1114 C.ar 1 UNK 0.1209 10 C7 -4.2238 -6.8441 -1.1807 C.ar 1 UNK -0.0165 11 C8 -3.7184 -8.0648 -1.5832 C.ar 1 UNK -0.0159 12 C9 -2.9860 -8.8392 -0.6952 C.ar 1 UNK 0.1287 13 C10 -2.7615 -8.3873 0.5970 C.ar 1 UNK -0.0159 14 C11 -3.2622 -7.1640 0.9976 C.ar 1 UNK -0.0165 15 O2 -2.4888 -10.0411 -1.0912 O.3 1 UNK -0.4560 16 C12 -2.6398 -10.3958 -2.3942 C.ar 1 UNK 0.1284 17 C13 -1.6798 -10.0343 -3.3286 C.ar 1 UNK -0.0193 18 C14 -1.8354 -10.3966 -4.6525 C.ar 1 UNK -0.0583 19 C15 -2.9468 -11.1186 -5.0469 C.ar 1 UNK -0.0615 20 C16 -3.9051 -11.4797 -4.1179 C.ar 1 UNK -0.0583 21 C17 -3.7513 -11.1252 -2.7916 C.ar 1 UNK -0.0193 22 O3 -4.6100 -2.2239 0.3501 O.3 1 UNK -0.3425 23 H -4.1570 2.2906 -0.1368 H 1 UNK 0.0231 24 H1 -5.2168 1.6810 1.1115 H 1 UNK 0.0231 25 H2 -5.7015 1.5946 -0.5650 H 1 UNK 0.0231 26 H3 -3.3901 0.0953 0.6653 H 1 UNK 0.0311 27 H4 -3.8748 0.0089 -1.0112 H 1 UNK 0.0311 28 H5 -5.6512 -0.6848 1.3017 H 1 UNK 0.0909 29 H6 -6.4784 -2.6966 -1.8146 H 1 UNK 0.0588 30 H7 -7.6751 -2.5268 -0.5954 H 1 UNK 0.0588 31 H8 -6.2053 -3.4031 1.0822 H 1 UNK 0.0654 32 H9 -4.6280 -4.2388 -1.3044 H 1 UNK 0.0723 33 H10 -6.0944 -5.0229 -0.7677 H 1 UNK 0.0723 34 H11 -4.7686 -6.2680 -1.8413 H 1 UNK 0.0655 35 H12 -3.8856 -8.4009 -2.5445 H 1 UNK 0.0655 36 H13 -2.2204 -8.9652 1.2590 H 1 UNK 0.0655 37 H14 -3.0880 -6.8241 1.9563 H 1 UNK 0.0655 38 H15 -0.8503 -9.4952 -3.0347 H 1 UNK 0.0654 39 H16 -1.1216 -10.1282 -5.3478 H 1 UNK 0.0619 40 H17 -3.0612 -11.3884 -6.0364 H 1 UNK 0.0618 41 H18 -4.7360 -12.0145 -4.4156 H 1 UNK 0.0619 42 H19 -4.4624 -11.4026 -2.0970 H 1 UNK 0.0654 @BOND 1 1 2 1 2 2 3 1 3 3 22 1 4 3 4 1 5 4 5 1 6 5 6 1 7 6 7 1 8 6 22 1 9 7 8 1 10 8 9 1 11 9 14 ar 12 9 10 ar 13 10 11 ar 14 11 12 ar 15 12 13 ar 16 12 15 1 17 13 14 ar 18 15 16 1 19 16 21 ar 20 16 17 ar 21 17 18 ar 22 18 19 ar 23 19 20 ar 24 20 21 ar 25 1 23 1 26 1 24 1 27 1 25 1 28 2 26 1 29 2 27 1 30 3 28 1 31 5 29 1 32 5 30 1 33 6 31 1 34 7 32 1 35 7 33 1 36 10 34 1 37 11 35 1 38 13 36 1 39 14 37 1 40 17 38 1 41 18 39 1 42 19 40 1 43 20 41 1 44 21 42 1