@MOLECULE 116018 56 59 1 SMALL USER_CHARGES @ATOM 1 F1 3.0553 -1.0272 2.8378 F 1 noname -0.1568 2 C1 1.8230 -0.6764 3.0641 C.2 1 noname 0.0675 3 C2 1.4559 -0.0288 4.2771 C.2 1 noname 0.0465 4 C3 0.8048 -0.9277 2.1095 C.2 1 noname 0.0321 5 C4 2.5654 0.2359 5.2115 C.2 1 noname 0.0319 6 C5 0.1101 0.3448 4.5993 C.2 1 noname 0.0036 7 C6 -0.5543 -0.5509 2.3633 C.2 1 noname -0.0001 8 O1 2.9859 -0.6886 5.9402 O.2 1 noname -0.2914 9 N1 3.1991 1.5906 5.3054 N.3 1 noname -0.0648 10 C7 -0.8999 0.0876 3.6243 C.2 1 noname -0.0217 11 C8 -1.5559 -0.7853 1.3416 C.2 1 noname 0.0476 12 C9 3.5141 1.9203 6.7280 C.3 1 noname 0.0118 13 C10 2.6401 2.7616 4.5455 C.3 1 noname 0.0118 14 N2 -2.5975 0.1102 1.3472 N.2 1 noname -0.2222 15 C11 -1.5505 -1.8319 0.3456 C.2 1 noname 0.0406 16 C12 2.2448 2.3638 7.5222 C.3 1 noname 0.0244 17 C13 1.3709 3.3920 5.2007 C.3 1 noname 0.0244 18 C14 -3.6517 0.0689 0.4809 C.2 1 noname 0.0454 19 C15 -0.6562 -2.7896 0.1466 C.1 1 noname -0.0101 20 C16 -2.6482 -1.8562 -0.5319 C.2 1 noname 0.0370 21 C17 1.4592 3.4751 6.7591 C.3 1 noname 0.2503 22 N3 -3.6451 -0.9335 -0.4445 N.2 1 noname -0.2309 23 C18 0.1361 -3.6744 -0.0671 C.1 1 noname -0.0269 24 C19 -2.7207 -2.8923 -1.5579 C.3 1 noname 0.0467 25 F2 0.1971 3.5843 7.2832 F 1 noname -0.2067 26 F3 2.1699 4.6225 7.0002 F 1 noname -0.2067 27 C20 1.0188 -4.6454 -0.2886 C.2 1 noname -0.0258 28 C21 -3.9894 -3.7230 -1.3551 C.3 1 noname -0.0597 29 C22 2.2715 -4.6433 0.4007 C.2 1 noname 0.0129 30 C23 0.7431 -5.7104 -1.2104 C.2 1 noname -0.0243 31 N4 3.1501 -5.6760 0.1356 N.2 1 noname -0.2633 32 C24 1.6656 -6.7665 -1.4685 C.2 1 noname -0.0315 33 C25 2.8921 -6.7042 -0.7501 C.2 1 noname 0.0173 34 N5 3.8131 -7.6596 -0.9360 N.3 1 noname -0.1209 35 H1 1.0695 -1.4154 1.1714 H 1 noname 0.0660 36 H2 -0.1371 0.8090 5.5541 H 1 noname 0.0631 37 H3 -1.9283 0.3767 3.8413 H 1 noname 0.0629 38 H4 3.8585 0.9864 7.1722 H 1 noname 0.0438 39 H5 4.1807 2.7816 6.6848 H 1 noname 0.0438 40 H6 3.4193 3.5228 4.5829 H 1 noname 0.0438 41 H7 2.3234 2.3526 3.5860 H 1 noname 0.0438 42 H8 1.5876 1.4951 7.5622 H 1 noname 0.0341 43 H9 2.6029 2.8193 8.4454 H 1 noname 0.0341 44 H10 1.3313 4.4222 4.8467 H 1 noname 0.0341 45 H11 0.5502 2.7087 4.9823 H 1 noname 0.0341 46 H12 -4.4588 0.8001 0.5260 H 1 noname 0.1061 47 H13 -2.8195 -2.3670 -2.5079 H 1 noname 0.0329 48 H14 -1.8670 -3.5471 -1.3835 H 1 noname 0.0329 49 H15 -4.1767 -3.8457 -0.2884 H 1 noname 0.0234 50 H16 -4.8352 -3.2131 -1.8163 H 1 noname 0.0234 51 H17 -3.8601 -4.7022 -1.8163 H 1 noname 0.0234 52 H18 2.5514 -3.8690 1.1150 H 1 noname 0.0853 53 H19 -0.2104 -5.7174 -1.7387 H 1 noname 0.0637 54 H20 1.4469 -7.5710 -2.1707 H 1 noname 0.0656 55 H21 3.5305 -8.6267 -1.0061 H 1 noname 0.1257 56 H22 4.7900 -7.4126 -1.0061 H 1 noname 0.1257 @BOND 1 1 2 1 2 2 3 2 3 2 4 1 4 3 5 1 5 3 6 1 6 4 7 2 7 5 8 2 8 5 9 1 9 6 10 2 10 7 11 1 11 7 10 1 12 9 12 1 13 9 13 1 14 11 14 2 15 11 15 1 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 15 20 2 21 16 21 1 22 17 21 1 23 18 22 2 24 19 23 3 25 20 24 1 26 20 22 1 27 21 25 1 28 21 26 1 29 23 27 1 30 24 28 1 31 27 29 2 32 27 30 1 33 29 31 1 34 30 32 2 35 31 33 2 36 32 33 1 37 33 34 1 38 4 35 1 39 6 36 1 40 10 37 1 41 12 38 1 42 12 39 1 43 13 40 1 44 13 41 1 45 16 42 1 46 16 43 1 47 17 44 1 48 17 45 1 49 18 46 1 50 24 47 1 51 24 48 1 52 28 49 1 53 28 50 1 54 28 51 1 55 29 52 1 56 30 53 1 57 32 54 1 58 34 55 1 59 34 56 1 @SUBSTRUCTURE 1 noname 1