@MOLECULE 86221338 77 76 1 SMALL USER_CHARGES @ATOM 1 Sn1 -0.3850 0.1172 0.2425 Sn 1 noname 0.2942 2 Cl1 1.9577 0.0347 -0.0308 Cl 1 noname -0.2097 3 C1 -1.3334 -0.5718 -1.5394 C.3 1 noname -0.0556 4 C2 -0.9846 2.1260 0.6360 C.3 1 noname -0.0556 5 C3 -0.9543 -1.1281 1.8781 C.3 1 noname -0.0556 6 C4 -0.9033 -2.0127 -1.8217 C.3 1 noname -0.0471 7 C5 -0.5763 3.0192 -0.5371 C.3 1 noname -0.0471 8 C6 -2.4730 -1.0746 2.0553 C.3 1 noname -0.0471 9 C7 -1.0064 4.4601 -0.2549 C.3 1 noname -0.0511 10 C8 -1.5836 -2.5069 -3.0999 C.3 1 noname -0.0511 11 C9 -2.8814 -1.9678 3.2285 C.3 1 noname -0.0511 12 C10 0.6154 -2.0662 -1.9989 C.3 1 noname -0.0539 13 C11 0.9425 2.9658 -0.7143 C.3 1 noname -0.0539 14 C12 -2.9031 0.3663 2.3375 C.3 1 noname -0.0539 15 C13 -2.5252 4.5136 -0.0776 C.3 1 noname -0.0533 16 C14 -3.1024 -2.4535 -2.9227 C.3 1 noname -0.0533 17 C15 -2.4512 -3.4087 2.9462 C.3 1 noname -0.0533 18 C16 1.3508 3.8590 -1.8875 C.3 1 noname -0.0651 19 C17 1.0455 -3.5071 -2.2812 C.3 1 noname -0.0651 20 C18 -4.4219 0.4198 2.5148 C.3 1 noname -0.0651 21 C19 -3.7827 -2.9477 -4.2009 C.3 1 noname -0.0561 22 C20 -2.9553 5.9545 0.2046 C.3 1 noname -0.0561 23 C21 -2.8596 -4.3020 4.1194 C.3 1 noname -0.0561 24 C22 -4.4740 6.0080 0.3818 C.3 1 noname -0.0654 25 C23 -5.3015 -2.8942 -4.0237 C.3 1 noname -0.0654 26 C24 -2.4295 -5.7429 3.8371 C.3 1 noname -0.0654 27 H1 -2.0666 2.1641 0.7623 H 1 noname 0.0194 28 H2 -0.5000 2.4781 1.5467 H 1 noname 0.0194 29 H3 -2.4154 -0.5337 -1.4132 H 1 noname 0.0194 30 H4 -1.0425 0.0646 -2.3752 H 1 noname 0.0194 31 H5 -0.6478 -2.1546 1.6770 H 1 noname 0.0194 32 H6 -0.4696 -0.7760 2.7887 H 1 noname 0.0194 33 H7 -1.0610 2.6671 -1.4477 H 1 noname 0.0295 34 H8 -1.1942 -2.6491 -0.9859 H 1 noname 0.0295 35 H9 -2.9577 -1.4267 1.1447 H 1 noname 0.0295 36 H10 -1.2772 -3.5335 -3.3010 H 1 noname 0.0269 37 H11 -1.2927 -1.8706 -3.9357 H 1 noname 0.0269 38 H12 -0.7155 5.0965 -1.0906 H 1 noname 0.0269 39 H13 -0.5217 4.8122 0.6558 H 1 noname 0.0269 40 H14 -3.9633 -1.9297 3.3547 H 1 noname 0.0269 41 H15 -2.3967 -1.6157 4.1391 H 1 noname 0.0269 42 H16 1.2489 1.9392 -0.9154 H 1 noname 0.0266 43 H17 1.4271 3.3179 0.1963 H 1 noname 0.0266 44 H18 0.9063 -1.4298 -2.8347 H 1 noname 0.0266 45 H19 1.1001 -1.7141 -1.0883 H 1 noname 0.0266 46 H20 -2.6122 1.0027 1.5018 H 1 noname 0.0266 47 H21 -2.4185 0.7184 3.2482 H 1 noname 0.0266 48 H22 -3.0098 4.1615 -0.9883 H 1 noname 0.0266 49 H23 -3.3933 -3.0898 -2.0869 H 1 noname 0.0266 50 H24 -3.4088 -1.4269 -2.7216 H 1 noname 0.0266 51 H25 -2.8161 3.8773 0.7581 H 1 noname 0.0266 52 H26 -2.9359 -3.7608 2.0356 H 1 noname 0.0266 53 H27 -1.3692 -3.4468 2.8199 H 1 noname 0.0266 54 H28 2.4328 3.8209 -2.0137 H 1 noname 0.0230 55 H29 0.8661 3.5069 -2.7981 H 1 noname 0.0230 56 H30 1.0444 4.8855 -1.6864 H 1 noname 0.0230 57 H31 2.1275 -3.5452 -2.4074 H 1 noname 0.0230 58 H32 0.5609 -3.8592 -3.1918 H 1 noname 0.0230 59 H33 0.7546 -4.1434 -1.4454 H 1 noname 0.0230 60 H34 -4.7283 1.4463 2.7158 H 1 noname 0.0230 61 H35 -4.9066 0.0677 1.6041 H 1 noname 0.0230 62 H36 -4.7128 -0.2166 3.3505 H 1 noname 0.0230 63 H37 -3.4763 -3.9742 -4.4020 H 1 noname 0.0264 64 H38 -3.4918 -2.3113 -5.0367 H 1 noname 0.0264 65 H39 -2.6644 6.5909 -0.6312 H 1 noname 0.0264 66 H40 -2.4706 6.3066 1.1152 H 1 noname 0.0264 67 H41 -3.9416 -4.2639 4.2456 H 1 noname 0.0264 68 H42 -2.3749 -3.9499 5.0300 H 1 noname 0.0264 69 H43 -4.7805 7.0345 0.5829 H 1 noname 0.0230 70 H44 -4.9587 5.6559 -0.5288 H 1 noname 0.0230 71 H45 -4.7650 5.3716 1.2176 H 1 noname 0.0230 72 H46 -5.7862 -3.2463 -4.9343 H 1 noname 0.0230 73 H47 -5.5924 -3.5306 -3.1879 H 1 noname 0.0230 74 H48 -5.6079 -1.8677 -3.8226 H 1 noname 0.0230 75 H49 -2.7204 -6.3792 4.6729 H 1 noname 0.0230 76 H50 -2.9141 -6.0950 2.9265 H 1 noname 0.0230 77 H51 -1.3475 -5.7810 3.7109 H 1 noname 0.0230 @BOND 1 1 2 1 2 1 3 1 3 1 4 1 4 1 5 1 5 3 6 1 6 3 29 1 7 3 30 1 8 4 7 1 9 4 27 1 10 4 28 1 11 5 8 1 12 5 31 1 13 5 32 1 14 6 10 1 15 6 12 1 16 6 34 1 17 7 9 1 18 7 13 1 19 7 33 1 20 8 11 1 21 8 14 1 22 8 35 1 23 9 15 1 24 9 38 1 25 9 39 1 26 10 16 1 27 10 36 1 28 10 37 1 29 11 17 1 30 11 40 1 31 11 41 1 32 12 19 1 33 12 44 1 34 12 45 1 35 13 18 1 36 13 42 1 37 13 43 1 38 14 20 1 39 14 46 1 40 14 47 1 41 15 22 1 42 15 48 1 43 15 51 1 44 16 21 1 45 16 49 1 46 16 50 1 47 17 23 1 48 17 52 1 49 17 53 1 50 18 54 1 51 18 55 1 52 18 56 1 53 19 57 1 54 19 58 1 55 19 59 1 56 20 60 1 57 20 61 1 58 20 62 1 59 21 25 1 60 21 63 1 61 21 64 1 62 22 24 1 63 22 65 1 64 22 66 1 65 23 26 1 66 23 67 1 67 23 68 1 68 24 69 1 69 24 70 1 70 24 71 1 71 25 72 1 72 25 73 1 73 25 74 1 74 26 75 1 75 26 76 1 76 26 77 1 @SUBSTRUCTURE 1 noname 1