@MOLECULE 172213 59 62 1 SMALL USER_CHARGES @ATOM 1 Cl1 6.1279 -1.1900 2.4998 Cl 1 noname -0.0717 2 C1 4.4490 -1.0608 2.6023 C.2 1 noname 0.0312 3 C2 3.8145 -0.3632 3.6803 C.2 1 noname 0.0216 4 C3 3.5951 -1.6401 1.6212 C.2 1 noname 0.0006 5 C4 4.5625 0.4071 4.6936 C.2 1 noname 0.0245 6 C5 2.4041 -0.3035 3.8613 C.2 1 noname -0.0049 7 C6 2.1377 -1.5371 1.7094 C.2 1 noname -0.0152 8 O1 4.1508 0.4761 5.8719 O.2 1 noname -0.2930 9 N1 5.7979 1.0902 4.2928 N.3 1 noname -0.0647 10 C7 1.5814 -0.8917 2.8668 C.2 1 noname -0.0294 11 C8 1.2344 -2.0400 0.6548 C.2 1 noname -0.0053 12 C9 6.6444 1.5362 5.4189 C.3 1 noname 0.0189 13 C10 5.9631 1.8791 3.0376 C.3 1 noname 0.0189 14 C11 -0.1603 -2.4304 0.8228 C.2 1 noname 0.0140 15 C12 1.8130 -2.1368 -0.6545 C.2 1 noname -0.0210 16 C13 8.0433 1.0099 5.0154 C.3 1 noname 0.0113 17 C14 7.3592 1.4261 2.5164 C.3 1 noname 0.0113 18 C15 -0.9063 -2.3730 1.9119 C.1 1 noname -0.0194 19 C16 -0.8758 -2.9562 -0.2788 C.2 1 noname 0.0216 20 C17 1.0607 -2.6599 -1.7314 C.2 1 noname -0.0093 21 N2 8.4126 1.3347 3.5890 N.3 1 noname -0.3037 22 C18 -1.6292 -2.3318 2.8776 C.1 1 noname -0.0287 23 N3 -0.2313 -3.0482 -1.4808 N.2 1 noname -0.2588 24 C19 -2.2630 -3.3882 -0.1358 C.3 1 noname 0.0440 25 C20 9.4820 0.4411 3.1469 C.3 1 noname -0.0132 26 C21 -2.4110 -2.2810 3.9579 C.2 1 noname -0.0258 27 C22 -2.3735 -4.8734 -0.4866 C.3 1 noname -0.0597 28 C23 -1.9447 -1.6313 5.1435 C.2 1 noname 0.0129 29 C24 -3.7189 -2.8695 3.9689 C.2 1 noname -0.0244 30 N4 -2.7936 -1.6110 6.2365 N.2 1 noname -0.2633 31 C25 -4.5778 -2.8368 5.1075 C.2 1 noname -0.0315 32 C26 -4.0519 -2.1747 6.2527 C.2 1 noname 0.0172 33 N5 -4.7930 -2.0978 7.3665 N.3 1 noname -0.1209 34 H1 4.0634 -2.1696 0.7915 H 1 noname 0.0644 35 H2 1.9670 0.1785 4.7357 H 1 noname 0.0631 36 H3 0.4998 -0.8467 2.9946 H 1 noname 0.0629 37 H4 6.6599 2.6260 5.4070 H 1 noname 0.0449 38 H5 6.3111 1.0056 6.3109 H 1 noname 0.0449 39 H6 5.2007 1.5408 2.3359 H 1 noname 0.0449 40 H7 6.0181 2.9312 3.3173 H 1 noname 0.0449 41 H8 2.8370 -1.8088 -0.8334 H 1 noname 0.0645 42 H9 8.7646 1.5463 5.6320 H 1 noname 0.0443 43 H10 7.9891 -0.0777 5.0616 H 1 noname 0.0443 44 H11 7.2362 0.4070 2.1500 H 1 noname 0.0443 45 H12 7.7060 2.2094 1.8423 H 1 noname 0.0443 46 H13 1.4695 -2.7619 -2.7367 H 1 noname 0.0839 47 H14 -2.5028 -3.2811 0.9220 H 1 noname 0.0329 48 H15 -2.8290 -2.8307 -0.8821 H 1 noname 0.0329 49 H16 9.9862 0.0198 4.0166 H 1 noname 0.0394 50 H17 9.0579 -0.3642 2.5473 H 1 noname 0.0394 51 H18 10.1992 1.0017 2.5473 H 1 noname 0.0394 52 H19 -2.4171 -5.4610 0.4303 H 1 noname 0.0234 53 H20 -3.2785 -5.0426 -1.0701 H 1 noname 0.0234 54 H21 -1.5034 -5.1745 -1.0701 H 1 noname 0.0234 55 H22 -0.9635 -1.1618 5.2126 H 1 noname 0.0853 56 H23 -4.0780 -3.3661 3.0674 H 1 noname 0.0637 57 H24 -5.5701 -3.2879 5.1029 H 1 noname 0.0656 58 H25 -4.3441 -2.0689 8.2708 H 1 noname 0.1257 59 H26 -5.8005 -2.0689 7.3017 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 14 19 1 20 15 20 2 21 16 21 1 22 17 21 1 23 18 22 3 24 19 23 2 25 19 24 1 26 20 23 1 27 21 25 1 28 22 26 1 29 24 27 1 30 26 28 2 31 26 29 1 32 28 30 1 33 29 31 2 34 30 32 2 35 31 32 1 36 32 33 1 37 4 34 1 38 6 35 1 39 10 36 1 40 12 37 1 41 12 38 1 42 13 39 1 43 13 40 1 44 15 41 1 45 16 42 1 46 16 43 1 47 17 44 1 48 17 45 1 49 20 46 1 50 24 47 1 51 24 48 1 52 25 49 1 53 25 50 1 54 25 51 1 55 27 52 1 56 27 53 1 57 27 54 1 58 28 55 1 59 29 56 1 60 31 57 1 61 33 58 1 62 33 59 1 @SUBSTRUCTURE 1 noname 1