@MOLECULE 59585381 62 65 1 SMALL USER_CHARGES @ATOM 1 Cl1 -7.7884 1.1409 3.5587 Cl 1 noname -0.0305 2 O1 -5.3519 -0.2370 1.8600 O.3 1 noname -0.3725 3 N1 -5.9237 -2.0241 4.7557 N.3 1 noname -0.0331 4 N2 -7.8968 -1.1261 5.0415 N.2 1 noname -0.2123 5 N3 0.5167 1.6580 2.1071 N.2 1 noname -0.2414 6 N4 -1.5482 1.0966 1.9150 N.2 1 noname -0.1022 7 N5 -0.2362 2.6039 2.5634 N.3 1 noname 0.0472 8 N6 -1.4792 2.2674 2.4544 N.2 1 noname -0.1772 9 C1 -7.1100 -2.1627 5.3619 C.2 1 noname -0.0307 10 C2 -7.4872 -3.2702 6.2352 C.3 1 noname 0.0513 11 C3 -4.8594 -2.9809 4.9362 C.3 1 noname -0.0145 12 C4 -5.9751 -0.8787 4.0349 C.2 1 noname -0.0422 13 C5 -8.7006 -3.9931 5.6471 C.3 1 noname -0.0467 14 C6 -3.6062 -2.7603 4.1792 C.2 1 noname -0.0433 15 C7 -4.9025 -0.3410 3.2030 C.3 1 noname 0.0883 16 C8 -7.2266 -0.3038 4.2246 C.2 1 noname 0.0616 17 C9 -9.0959 -5.1537 6.5623 C.3 1 noname -0.0557 18 C10 -3.4311 -3.6926 3.1245 C.2 1 noname -0.0533 19 C11 -2.7526 -1.6295 4.4176 C.2 1 noname -0.0533 20 C12 -1.6110 -2.2043 2.2676 C.2 1 noname -0.0457 21 C13 -4.3086 0.2859 1.0510 C.3 1 noname 0.0525 22 C14 -10.3093 -5.8766 5.9742 C.3 1 noname -0.0654 23 C15 -2.4372 -3.3876 2.1674 C.2 1 noname -0.0422 24 C16 -1.7486 -1.3873 3.4465 C.2 1 noname -0.0422 25 C17 -0.6233 -1.8569 1.2308 C.2 1 noname 0.0053 26 C18 -4.7928 0.3979 -0.3961 C.3 1 noname -0.0389 27 C19 -3.9107 1.6712 1.5643 C.3 1 noname -0.0389 28 C20 0.0516 -0.5626 1.0670 C.2 1 noname -0.0056 29 C21 -0.2670 -2.8876 0.2690 C.2 1 noname -0.0362 30 C22 1.0905 -0.3745 0.0915 C.2 1 noname -0.0101 31 C23 0.7103 -2.6680 -0.7299 C.2 1 noname -0.0332 32 C24 -0.2957 0.6670 1.6990 C.2 1 noname 0.1360 33 C25 1.3920 -1.4308 -0.7954 C.2 1 noname -0.0489 34 H1 -7.7379 -2.8845 7.2234 H 1 noname 0.0345 35 H2 -6.6537 -3.9677 6.3181 H 1 noname 0.0345 36 H3 -5.2344 -3.9841 4.7335 H 1 noname 0.0523 37 H4 -4.6517 -2.9304 6.0050 H 1 noname 0.0523 38 H5 -9.5341 -3.2956 5.5642 H 1 noname 0.0271 39 H6 -8.4500 -4.3788 4.6589 H 1 noname 0.0271 40 H7 -4.6190 0.6459 3.5687 H 1 noname 0.0632 41 H8 -4.0402 -1.0063 3.2472 H 1 noname 0.0632 42 H9 -9.3466 -4.7680 7.5505 H 1 noname 0.0264 43 H10 -8.2624 -5.8512 6.6452 H 1 noname 0.0264 44 H11 -3.9944 -4.5406 3.0602 H 1 noname 0.0626 45 H12 -2.8628 -1.0348 5.2389 H 1 noname 0.0626 46 H13 -3.4464 -0.3794 1.0951 H 1 noname 0.0597 47 H14 -10.5909 -6.7034 6.6262 H 1 noname 0.0230 48 H15 -11.1428 -5.1791 5.8913 H 1 noname 0.0230 49 H16 -10.0586 -6.2623 4.9860 H 1 noname 0.0230 50 H17 -2.2978 -4.0219 1.3808 H 1 noname 0.0629 51 H18 -1.1032 -0.6101 3.5868 H 1 noname 0.0629 52 H19 -3.1099 2.0726 0.9433 H 1 noname 0.0256 53 H20 -4.7730 2.3365 1.5202 H 1 noname 0.0256 54 H21 -3.5658 1.5914 2.5952 H 1 noname 0.0256 55 H22 -3.9920 0.7993 -1.0171 H 1 noname 0.0256 56 H23 -5.6551 1.0632 -0.4402 H 1 noname 0.0256 57 H24 -5.0763 -0.5890 -0.7618 H 1 noname 0.0256 58 H25 -0.7342 -3.7931 0.3159 H 1 noname 0.0629 59 H26 1.6010 0.5071 0.0409 H 1 noname 0.0630 60 H27 0.9236 -3.4032 -1.4039 H 1 noname 0.0622 61 H28 2.1181 -1.2985 -1.4994 H 1 noname 0.0622 62 H29 0.0840 3.4418 2.9328 H 1 noname 0.2008 @BOND 1 1 16 1 2 2 15 1 3 2 21 1 4 3 9 1 5 3 11 1 6 3 12 1 7 4 9 2 8 4 16 1 9 5 7 1 10 5 32 2 11 6 8 2 12 6 32 1 13 7 8 1 14 7 62 1 15 9 10 1 16 10 13 1 17 10 34 1 18 10 35 1 19 11 14 1 20 11 36 1 21 11 37 1 22 12 15 1 23 12 16 2 24 13 17 1 25 13 38 1 26 13 39 1 27 14 18 2 28 14 19 1 29 15 40 1 30 15 41 1 31 17 22 1 32 17 42 1 33 17 43 1 34 18 23 1 35 18 44 1 36 19 24 2 37 19 45 1 38 20 23 2 39 20 24 1 40 20 25 1 41 21 26 1 42 21 27 1 43 21 46 1 44 22 47 1 45 22 48 1 46 22 49 1 47 23 50 1 48 24 51 1 49 25 28 1 50 25 29 2 51 26 55 1 52 26 56 1 53 26 57 1 54 27 52 1 55 27 53 1 56 27 54 1 57 28 30 2 58 28 32 1 59 29 31 1 60 29 58 1 61 30 33 1 62 30 59 1 63 31 33 2 64 31 60 1 65 33 61 1 @SUBSTRUCTURE 1 noname 1