@MOLECULE FDBD02919 47 48 0 0 0 SMALL USER_CHARGES @ATOM 1 C -1.0698 0.8067 0.1697 C.3 1 UNK -0.0379 2 C1 -1.1155 -0.6471 0.5639 C.ar 1 UNK -0.0288 3 C2 -1.1938 -1.6249 -0.4084 C.ar 1 UNK -0.0571 4 C3 -1.2362 -2.9591 -0.0475 C.ar 1 UNK -0.0611 5 C4 -1.2000 -3.3189 1.2872 C.ar 1 UNK -0.0571 6 C5 -1.1212 -2.3460 2.2643 C.ar 1 UNK -0.0288 7 C6 -1.0813 -2.7390 3.7186 C.3 1 UNK -0.0379 8 C7 -1.0731 -1.0054 1.9050 C.ar 1 UNK 0.0430 9 N -0.9928 -0.0173 2.8924 N.am 1 UNK -0.2571 10 C8 0.2980 0.5994 3.2083 C.3 1 UNK 0.1249 11 C9 0.9000 1.2019 1.9373 C.3 1 UNK -0.0356 12 C10 1.2325 -0.4461 3.7602 C.2 1 UNK 0.3277 13 O 1.1143 -1.6004 3.4233 O.2 1 UNK -0.2487 14 O1 2.1963 -0.0950 4.6260 O.3 1 UNK -0.4666 15 C11 3.0597 -1.1544 5.1165 C.3 1 UNK 0.0817 16 C12 -2.1030 0.3672 3.5529 C.2 1 UNK 0.2248 17 O2 -2.0334 1.2237 4.4088 O.2 1 UNK -0.2749 18 C13 -3.4308 -0.2672 3.2279 C.3 1 UNK 0.0496 19 C14 -4.5020 0.3346 4.1005 C.ar 1 UNK -0.0386 20 C15 -4.7893 -0.2284 5.3298 C.ar 1 UNK -0.0581 21 C16 -5.7719 0.3236 6.1302 C.ar 1 UNK -0.0615 22 C17 -6.4669 1.4389 5.7014 C.ar 1 UNK -0.0617 23 C18 -6.1790 2.0025 4.4725 C.ar 1 UNK -0.0615 24 C19 -5.1934 1.4530 3.6739 C.ar 1 UNK -0.0581 25 H -1.0106 1.4131 1.0493 H 1 UNK 0.0278 26 H1 -1.9554 1.0561 -0.3765 H 1 UNK 0.0278 27 H2 -0.2109 0.9831 -0.4436 H 1 UNK 0.0278 28 H3 -1.2207 -1.3595 -1.4053 H 1 UNK 0.0621 29 H4 -1.2950 -3.6879 -0.7758 H 1 UNK 0.0618 30 H5 -1.2319 -4.3155 1.5535 H 1 UNK 0.0621 31 H6 -1.1277 -3.8048 3.8014 H 1 UNK 0.0278 32 H7 -1.9160 -2.3050 4.2284 H 1 UNK 0.0278 33 H8 -0.1720 -2.3863 4.1586 H 1 UNK 0.0278 34 H9 0.1562 1.3708 3.9361 H 1 UNK 0.0617 35 H10 1.0418 0.4305 1.2095 H 1 UNK 0.0253 36 H11 1.8428 1.6523 2.1680 H 1 UNK 0.0253 37 H12 0.2364 1.9443 1.5456 H 1 UNK 0.0253 38 H13 3.7791 -0.7434 5.7936 H 1 UNK 0.0661 39 H14 3.5662 -1.6120 4.2925 H 1 UNK 0.0661 40 H15 2.4701 -1.8885 5.6248 H 1 UNK 0.0661 41 H16 -3.3758 -1.3208 3.4061 H 1 UNK 0.0407 42 H17 -3.6680 -0.0913 2.1994 H 1 UNK 0.0407 43 H18 -4.2702 -1.0609 5.6501 H 1 UNK 0.0620 44 H19 -5.9866 -0.0969 7.0478 H 1 UNK 0.0618 45 H20 -7.2007 1.8508 6.2988 H 1 UNK 0.0618 46 H21 -6.6998 2.8335 4.1512 H 1 UNK 0.0618 47 H22 -4.9738 1.8777 2.7593 H 1 UNK 0.0620 @BOND 1 1 2 1 2 2 8 ar 3 2 3 ar 4 3 4 ar 5 4 5 ar 6 5 6 ar 7 6 7 1 8 6 8 ar 9 8 9 1 10 9 10 1 11 9 16 am 12 10 11 1 13 10 12 1 14 12 13 2 15 12 14 1 16 14 15 1 17 16 17 2 18 16 18 1 19 18 19 1 20 19 24 ar 21 19 20 ar 22 20 21 ar 23 21 22 ar 24 22 23 ar 25 23 24 ar 26 1 25 1 27 1 26 1 28 1 27 1 29 3 28 1 30 4 29 1 31 5 30 1 32 7 31 1 33 7 32 1 34 7 33 1 35 10 34 1 36 11 35 1 37 11 36 1 38 11 37 1 39 15 38 1 40 15 39 1 41 15 40 1 42 18 41 1 43 18 42 1 44 20 43 1 45 21 44 1 46 22 45 1 47 23 46 1 48 24 47 1