@MOLECULE 116008 56 60 1 SMALL USER_CHARGES @ATOM 1 Cl1 -0.5713 -5.8956 -3.7709 Cl 1 noname -0.0687 2 C1 -0.1588 -4.3037 -4.1471 C.2 1 noname 0.0473 3 C2 0.8857 -3.6056 -3.4626 C.2 1 noname 0.0742 4 C3 -0.8262 -3.5697 -5.1638 C.2 1 noname 0.0075 5 C4 1.2208 -2.2363 -3.7242 C.2 1 noname 0.0751 6 C5 1.6395 -4.4386 -2.5055 C.2 1 noname 0.0428 7 C6 -0.4867 -2.1956 -5.5003 C.2 1 noname 0.0075 8 F1 2.1417 -1.6378 -3.0269 F 1 noname -0.1556 9 C7 0.5389 -1.5479 -4.7467 C.2 1 noname 0.0318 10 O1 1.3439 -5.6461 -2.3752 O.2 1 noname -0.2890 11 N1 2.7408 -3.8663 -1.6969 N.3 1 noname -0.0573 12 C8 -1.1428 -1.4309 -6.5484 C.2 1 noname 0.0477 13 C9 3.8164 -2.9768 -2.2426 C.3 1 noname 0.0645 14 C10 2.8201 -4.2586 -0.2603 C.3 1 noname 0.0228 15 N2 -0.6973 -0.1377 -6.8064 N.2 1 noname -0.2217 16 C11 -2.2429 -1.9035 -7.3459 C.2 1 noname 0.0411 17 C12 3.6905 -1.7614 -1.3992 C.2 1 noname 0.0145 18 C13 2.9164 -2.9895 0.6442 C.3 1 noname 0.0321 19 C14 -1.2432 0.6844 -7.7464 C.2 1 noname 0.0455 20 C15 -2.7811 -3.0774 -7.2451 C.1 1 noname -0.0100 21 C16 -2.7981 -1.0438 -8.3116 C.2 1 noname 0.0371 22 N3 3.8267 -0.4755 -1.7505 N.2 1 noname -0.1578 23 N4 3.3269 -1.8198 -0.0982 N.3 1 noname 0.0028 24 N5 -2.2865 0.2074 -8.4770 N.2 1 noname -0.2304 25 C17 -3.1778 -4.1845 -7.0418 C.1 1 noname -0.0269 26 C18 -3.9187 -1.4916 -9.1334 C.3 1 noname 0.0467 27 N6 3.6212 0.2312 -0.6819 N.2 1 noname -0.1645 28 C19 3.3239 -0.5626 0.3644 C.2 1 noname 0.0025 29 C20 -3.6012 -5.3972 -6.7986 C.2 1 noname -0.0258 30 C21 -3.5174 -1.4502 -10.6093 C.3 1 noname -0.0597 31 C22 -4.4570 -5.6343 -5.6851 C.2 1 noname 0.0129 32 C23 -3.2515 -6.4510 -7.6950 C.2 1 noname -0.0243 33 N7 -4.9169 -6.9223 -5.5456 N.2 1 noname -0.2633 34 C24 -3.7450 -7.7678 -7.5196 C.2 1 noname -0.0315 35 C25 -4.6031 -7.9669 -6.3975 C.2 1 noname 0.0173 36 N8 -5.1130 -9.1841 -6.1648 N.3 1 noname -0.1209 37 H1 -1.6253 -4.0778 -5.7037 H 1 noname 0.0645 38 H2 0.8055 -0.5118 -4.9552 H 1 noname 0.0660 39 H3 4.7819 -3.4364 -2.0316 H 1 noname 0.0517 40 H4 3.5530 -2.7074 -3.2654 H 1 noname 0.0517 41 H5 1.8732 -4.7488 -0.0342 H 1 noname 0.0452 42 H6 3.7564 -4.8064 -0.1539 H 1 noname 0.0452 43 H7 1.9106 -2.7572 0.9941 H 1 noname 0.0487 44 H8 3.7183 -3.1573 1.3631 H 1 noname 0.0487 45 H9 -0.8577 1.6910 -7.9087 H 1 noname 0.1061 46 H10 -4.0875 -2.5350 -8.8672 H 1 noname 0.0329 47 H11 -4.7104 -0.7568 -8.9868 H 1 noname 0.0329 48 H12 3.1202 -0.2483 1.3880 H 1 noname 0.1036 49 H13 -3.4148 -2.4677 -10.9865 H 1 noname 0.0234 50 H14 -4.2846 -0.9268 -11.1799 H 1 noname 0.0234 51 H15 -2.5670 -0.9268 -10.7128 H 1 noname 0.0234 52 H16 -4.7472 -4.8637 -4.9709 H 1 noname 0.0853 53 H17 -2.5897 -6.2445 -8.5361 H 1 noname 0.0637 54 H18 -3.4818 -8.5749 -8.2033 H 1 noname 0.0656 55 H19 -6.1119 -9.3047 -6.0771 H 1 noname 0.1257 56 H20 -4.4985 -9.9808 -6.0771 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 1 8 5 9 2 9 6 10 2 10 6 11 1 11 7 12 1 12 7 9 1 13 11 13 1 14 11 14 1 15 12 15 2 16 12 16 1 17 13 17 1 18 14 18 1 19 15 19 1 20 16 20 1 21 16 21 2 22 17 22 2 23 17 23 1 24 18 23 1 25 19 24 2 26 20 25 3 27 21 26 1 28 21 24 1 29 22 27 1 30 23 28 1 31 25 29 1 32 26 30 1 33 27 28 2 34 29 31 2 35 29 32 1 36 31 33 1 37 32 34 2 38 33 35 2 39 34 35 1 40 35 36 1 41 4 37 1 42 9 38 1 43 13 39 1 44 13 40 1 45 14 41 1 46 14 42 1 47 18 43 1 48 18 44 1 49 19 45 1 50 26 46 1 51 26 47 1 52 28 48 1 53 30 49 1 54 30 50 1 55 30 51 1 56 31 52 1 57 32 53 1 58 34 54 1 59 36 55 1 60 36 56 1 @SUBSTRUCTURE 1 noname 1