@MOLECULE 150992 57 62 1 SMALL USER_CHARGES @ATOM 1 F1 11.0733 -4.1743 0.9821 F 1 noname -0.2067 2 C1 9.7992 -4.3227 0.4980 C.3 1 noname 0.2503 3 F2 9.6186 -5.6064 0.0520 F 1 noname -0.2067 4 C2 9.6237 -3.4454 -0.7873 C.3 1 noname 0.0244 5 C3 8.7772 -4.1812 1.6701 C.3 1 noname 0.0244 6 C4 8.4420 -2.4181 -0.7819 C.3 1 noname 0.0117 7 C5 7.4747 -3.4219 1.2837 C.3 1 noname 0.0117 8 N1 7.7989 -2.2434 0.4977 N.3 1 noname -0.0595 9 C6 7.5974 -0.9878 1.0089 C.2 1 noname 0.0822 10 N2 8.0284 -0.8053 2.2736 N.2 1 noname -0.2688 11 N3 7.0241 0.0801 0.3712 N.2 1 noname -0.2606 12 C7 7.8948 0.3551 2.9521 C.2 1 noname 0.0706 13 C8 6.8924 1.2776 1.0200 C.2 1 noname 0.1130 14 N4 8.2731 0.2929 4.2214 N.3 1 noname -0.0774 15 C9 7.3202 1.4503 2.3191 C.2 1 noname -0.0244 16 N5 6.3901 2.4397 0.6216 N.3 1 noname 0.0234 17 C10 9.6431 0.6287 4.5597 C.3 1 noname 0.0366 18 C11 7.3262 -0.4209 5.0509 C.3 1 noname 0.0285 19 N6 7.0804 2.6972 2.7309 N.2 1 noname -0.2202 20 C12 6.5134 3.2952 1.6646 C.2 1 noname -0.0264 21 C13 10.1131 -0.2150 5.7830 C.3 1 noname 0.0625 22 C14 9.7743 2.1193 4.8849 C.3 1 noname -0.0469 23 C15 8.0905 -1.7229 5.4163 C.3 1 noname 0.0599 24 C16 6.1023 4.6423 1.6367 C.2 1 noname -0.0017 25 O1 9.4545 -1.5209 5.9105 O.3 1 noname -0.3783 26 C17 6.2893 5.4605 2.8206 C.2 1 noname 0.0056 27 C18 5.5049 5.1669 0.4225 C.2 1 noname -0.0304 28 C19 5.8646 6.8122 2.7610 C.2 1 noname 0.0719 29 C20 6.4896 5.1317 4.1563 C.2 1 noname -0.0278 30 C21 5.0994 6.5254 0.4213 C.2 1 noname -0.0011 31 N7 5.2993 7.2651 1.5778 N.2 1 noname -0.2493 32 N8 6.3977 7.4602 3.8057 N.3 1 noname -0.0381 33 C22 6.7840 6.4356 4.7379 C.2 1 noname -0.1129 34 H1 10.5284 -2.8402 -0.8463 H 1 noname 0.0341 35 H2 9.3865 -4.1500 -1.5844 H 1 noname 0.0341 36 H3 8.4658 -5.1958 1.9183 H 1 noname 0.0341 37 H4 9.2685 -3.5627 2.4212 H 1 noname 0.0341 38 H5 8.8658 -1.4379 -1.0002 H 1 noname 0.0438 39 H6 7.6569 -2.8265 -1.4182 H 1 noname 0.0438 40 H7 6.8984 -4.0648 0.6184 H 1 noname 0.0438 41 H8 7.0241 -3.0436 2.2013 H 1 noname 0.0438 42 H9 5.9955 2.6331 -0.2877 H 1 noname 0.1559 43 H10 10.2144 0.3976 3.6606 H 1 noname 0.0492 44 H11 7.1801 0.1732 5.9530 H 1 noname 0.0459 45 H12 6.4738 -0.6718 4.4196 H 1 noname 0.0459 46 H13 11.1636 -0.4537 5.6172 H 1 noname 0.0582 47 H14 9.8128 0.3310 6.6773 H 1 noname 0.0582 48 H15 9.7862 2.2556 5.9662 H 1 noname 0.0247 49 H16 10.7015 2.5036 4.4599 H 1 noname 0.0247 50 H17 8.9284 2.6596 4.4599 H 1 noname 0.0247 51 H18 7.5611 -2.1723 6.2564 H 1 noname 0.0580 52 H19 8.2176 -2.2828 4.4898 H 1 noname 0.0580 53 H20 5.3640 4.5546 -0.4682 H 1 noname 0.0646 54 H21 6.4327 4.1435 4.6127 H 1 noname 0.0643 55 H22 4.6430 6.9919 -0.4517 H 1 noname 0.0840 56 H23 6.4858 8.4641 3.8732 H 1 noname 0.1537 57 H24 7.2248 6.6165 5.7182 H 1 noname 0.0789 @BOND 1 1 2 1 2 2 3 1 3 2 4 1 4 2 5 1 5 4 6 1 6 5 7 1 7 6 8 1 8 7 8 1 9 8 9 1 10 9 10 2 11 9 11 1 12 10 12 1 13 11 13 2 14 12 14 1 15 12 15 2 16 13 16 1 17 13 15 1 18 17 14 1 19 14 18 1 20 15 19 1 21 16 20 1 22 17 21 1 23 17 22 1 24 18 23 1 25 19 20 2 26 20 24 1 27 21 25 1 28 23 25 1 29 24 26 2 30 24 27 1 31 26 28 1 32 26 29 1 33 27 30 2 34 28 31 2 35 28 32 1 36 29 33 2 37 30 31 1 38 32 33 1 39 4 34 1 40 4 35 1 41 5 36 1 42 5 37 1 43 6 38 1 44 6 39 1 45 7 40 1 46 7 41 1 47 16 42 1 48 17 43 1 49 18 44 1 50 18 45 1 51 21 46 1 52 21 47 1 53 22 48 1 54 22 49 1 55 22 50 1 56 23 51 1 57 23 52 1 58 27 53 1 59 29 54 1 60 30 55 1 61 32 56 1 62 33 57 1 @SUBSTRUCTURE 1 noname 1