@MOLECULE FDBD01930 45 46 0 0 0 SMALL USER_CHARGES @ATOM 1 C 1.5062 1.4604 -0.2363 C.3 1 UNK -0.0397 2 C1 1.2563 -0.0255 -0.2089 C.ar 1 UNK -0.0501 3 C2 0.2731 -0.5736 -1.0136 C.ar 1 UNK -0.0568 4 C3 0.0391 -1.9329 -0.9930 C.ar 1 UNK -0.0358 5 C4 0.7969 -2.7558 -0.1584 C.ar 1 UNK 0.0682 6 C5 1.7872 -2.1968 0.6503 C.ar 1 UNK -0.0248 7 C6 2.6105 -3.0778 1.5541 C.3 1 UNK -0.0377 8 C7 2.0147 -0.8362 0.6163 C.ar 1 UNK -0.0539 9 N 0.5689 -4.1079 -0.1328 N.2 1 UNK -0.2398 10 C8 0.4842 -4.7747 -1.2473 C.2 1 UNK 0.0891 11 N1 0.3304 -6.1381 -1.2212 N.pl3 1 UNK -0.2852 12 C9 0.2617 -6.8430 0.0612 C.3 1 UNK 0.0074 13 C10 0.2411 -6.8411 -2.3963 C.2 1 UNK 0.0891 14 N2 0.0953 -8.1342 -2.3715 N.2 1 UNK -0.2398 15 C11 -0.1071 -8.8240 -3.5395 C.ar 1 UNK 0.0682 16 C12 -1.0674 -8.3879 -4.4536 C.ar 1 UNK -0.0358 17 C13 -1.2660 -9.0863 -5.6265 C.ar 1 UNK -0.0568 18 C14 -0.5160 -10.2171 -5.8975 C.ar 1 UNK -0.0501 19 C15 -0.7383 -10.9750 -7.1809 C.3 1 UNK -0.0397 20 C16 0.4374 -10.6545 -4.9957 C.ar 1 UNK -0.0539 21 C17 0.6503 -9.9615 -3.8216 C.ar 1 UNK -0.0248 22 C18 1.6893 -10.4394 -2.8403 C.3 1 UNK -0.0377 23 H 2.2958 1.7019 0.4442 H 1 UNK 0.0278 24 H1 0.6152 1.9773 0.0533 H 1 UNK 0.0278 25 H2 1.7850 1.7570 -1.2259 H 1 UNK 0.0278 26 H3 -0.2864 0.0359 -1.6305 H 1 UNK 0.0621 27 H4 -0.6947 -2.3405 -1.5934 H 1 UNK 0.0639 28 H5 2.2940 -4.0942 1.4463 H 1 UNK 0.0278 29 H6 2.4786 -2.7690 2.5700 H 1 UNK 0.0278 30 H7 3.6436 -2.9958 1.2877 H 1 UNK 0.0278 31 H8 2.7523 -0.4226 1.2078 H 1 UNK 0.0623 32 H9 0.5327 -4.2781 -2.1507 H 1 UNK 0.1003 33 H10 0.3481 -6.1375 0.8610 H 1 UNK 0.0432 34 H11 1.0615 -7.5511 0.1222 H 1 UNK 0.0432 35 H12 -0.6747 -7.3552 0.1370 H 1 UNK 0.0432 36 H13 0.2895 -6.3445 -3.2997 H 1 UNK 0.1003 37 H14 -1.6276 -7.5449 -4.2525 H 1 UNK 0.0639 38 H15 -1.9755 -8.7647 -6.3034 H 1 UNK 0.0621 39 H16 -1.5072 -10.4953 -7.7498 H 1 UNK 0.0278 40 H17 -1.0343 -11.9783 -6.9559 H 1 UNK 0.0278 41 H18 0.1688 -10.9895 -7.7483 H 1 UNK 0.0278 42 H19 0.9907 -11.5010 -5.2015 H 1 UNK 0.0623 43 H20 1.7122 -9.7817 -1.9966 H 1 UNK 0.0278 44 H21 2.6493 -10.4470 -3.3128 H 1 UNK 0.0278 45 H22 1.4441 -11.4287 -2.5148 H 1 UNK 0.0278 @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 5 9 1 8 6 7 1 9 6 8 ar 10 9 10 2 11 10 11 1 12 11 12 1 13 11 13 1 14 13 14 2 15 14 15 1 16 15 21 ar 17 15 16 ar 18 16 17 ar 19 17 18 ar 20 18 19 1 21 18 20 ar 22 20 21 ar 23 21 22 1 24 1 23 1 25 1 24 1 26 1 25 1 27 3 26 1 28 4 27 1 29 7 28 1 30 7 29 1 31 7 30 1 32 8 31 1 33 10 32 1 34 12 33 1 35 12 34 1 36 12 35 1 37 13 36 1 38 16 37 1 39 17 38 1 40 19 39 1 41 19 40 1 42 19 41 1 43 20 42 1 44 22 43 1 45 22 44 1 46 22 45 1