@MOLECULE FDBD03181 81 80 0 0 0 SMALL USER_CHARGES @ATOM 1 C 0.6413 4.1110 -0.4066 C.3 1 UNK 0.0000 2 C1 0.5342 2.5880 -0.5072 C.3 1 UNK 0.0000 3 C2 1.0312 1.9548 0.7939 C.3 1 UNK 0.0000 4 C3 0.9240 0.4318 0.6933 C.3 1 UNK 0.0000 5 Sn 1.6224 -0.4581 2.5217 Sn 1 UNK 0.0000 6 C4 3.6736 0.0959 2.8506 C.3 1 UNK 0.0000 7 C5 4.5188 -0.3435 1.6533 C.3 1 UNK 0.0000 8 C6 5.9753 0.0671 1.8792 C.3 1 UNK 0.0000 9 C7 6.8392 -0.4681 0.7354 C.3 1 UNK 0.0000 10 C8 0.4200 0.2381 4.1625 C.3 1 UNK 0.0000 11 C9 -1.0534 -0.0595 3.8773 C.3 1 UNK 0.0000 12 C10 -1.9189 0.5400 4.9875 C.3 1 UNK 0.0000 13 C11 -3.3818 0.1550 4.7578 C.3 1 UNK 0.0000 14 O 1.4823 -2.4488 2.3901 O.3 1 UNK 0.0000 15 Sn1 2.3658 -3.4276 3.8940 Sn 1 UNK 0.0000 16 C12 1.8325 -5.5085 3.8061 C.3 1 UNK 0.0000 17 C13 2.5084 -6.2573 4.9565 C.3 1 UNK 0.0000 18 C14 2.1288 -7.7381 4.8939 C.3 1 UNK 0.0000 19 C15 2.8047 -8.4869 6.0444 C.3 1 UNK 0.0000 20 C16 4.4997 -3.2269 3.7241 C.3 1 UNK 0.0000 21 C17 4.9807 -3.9461 2.4623 C.3 1 UNK 0.0000 22 C18 6.5064 -3.8658 2.3797 C.3 1 UNK 0.0000 23 C19 6.9855 -4.5621 1.1044 C.3 1 UNK 0.0000 24 C20 1.7151 -2.5995 5.7683 C.3 1 UNK 0.0000 25 C21 0.2116 -2.8300 5.9332 C.3 1 UNK 0.0000 26 C22 -0.2597 -2.2022 7.2464 C.3 1 UNK 0.0000 27 C23 -1.7741 -2.3748 7.3797 C.3 1 UNK 0.0000 28 H 0.2937 4.5539 -1.3165 H 1 UNK 0.0000 29 H1 1.6621 4.3867 -0.2429 H 1 UNK 0.0000 30 H2 0.0429 4.4575 0.4100 H 1 UNK 0.0000 31 H3 1.1326 2.2415 -1.3238 H 1 UNK 0.0000 32 H4 -0.4866 2.3123 -0.6709 H 1 UNK 0.0000 33 H5 0.4329 2.3013 1.6105 H 1 UNK 0.0000 34 H6 2.0520 2.2305 0.9576 H 1 UNK 0.0000 35 H7 1.5223 0.0853 -0.1233 H 1 UNK 0.0000 36 H8 -0.0968 0.1561 0.5296 H 1 UNK 0.0000 37 H9 4.0346 -0.3827 3.7369 H 1 UNK 0.0000 38 H10 3.7423 1.1575 2.9653 H 1 UNK 0.0000 39 H11 4.1498 0.1251 0.7650 H 1 UNK 0.0000 40 H12 4.4603 -1.4065 1.5463 H 1 UNK 0.0000 41 H13 6.3205 -0.3389 2.8070 H 1 UNK 0.0000 42 H14 6.0445 1.1344 1.9092 H 1 UNK 0.0000 43 H15 6.7700 -1.5354 0.7054 H 1 UNK 0.0000 44 H16 7.8578 -0.1810 0.8933 H 1 UNK 0.0000 45 H17 6.4940 -0.0621 -0.1924 H 1 UNK 0.0000 46 H18 0.5544 1.2930 4.2807 H 1 UNK 0.0000 47 H19 0.7176 -0.2622 5.0603 H 1 UNK 0.0000 48 H20 -1.2029 -1.1184 3.8410 H 1 UNK 0.0000 49 H21 -1.3291 0.3720 2.9378 H 1 UNK 0.0000 50 H22 -1.8247 1.6058 4.9770 H 1 UNK 0.0000 51 H23 -1.5953 0.1627 5.9350 H 1 UNK 0.0000 52 H24 -3.7054 0.5323 3.8103 H 1 UNK 0.0000 53 H25 -3.9871 0.5742 5.5342 H 1 UNK 0.0000 54 H26 -3.4760 -0.9108 4.7683 H 1 UNK 0.0000 55 H27 2.1563 -5.9206 2.8732 H 1 UNK 0.0000 56 H28 0.7705 -5.6084 3.8907 H 1 UNK 0.0000 57 H29 2.1846 -5.8452 5.8894 H 1 UNK 0.0000 58 H30 3.5704 -6.1574 4.8719 H 1 UNK 0.0000 59 H31 2.4527 -8.1502 3.9611 H 1 UNK 0.0000 60 H32 1.0668 -7.8380 4.9784 H 1 UNK 0.0000 61 H33 3.8667 -8.3870 5.9599 H 1 UNK 0.0000 62 H34 2.5393 -9.5225 6.0006 H 1 UNK 0.0000 63 H35 2.4808 -8.0748 6.9772 H 1 UNK 0.0000 64 H36 4.9682 -3.6609 4.5826 H 1 UNK 0.0000 65 H37 4.7567 -2.1900 3.6635 H 1 UNK 0.0000 66 H38 4.5518 -3.4793 1.6003 H 1 UNK 0.0000 67 H39 4.6790 -4.9720 2.4996 H 1 UNK 0.0000 68 H40 6.9357 -4.3488 3.2325 H 1 UNK 0.0000 69 H41 6.8090 -2.8397 2.3610 H 1 UNK 0.0000 70 H42 6.6829 -5.5882 1.1231 H 1 UNK 0.0000 71 H43 8.0525 -4.5059 1.0467 H 1 UNK 0.0000 72 H44 6.5562 -4.0791 0.2515 H 1 UNK 0.0000 73 H45 1.9187 -1.5492 5.7841 H 1 UNK 0.0000 74 H46 2.2391 -3.0765 6.5701 H 1 UNK 0.0000 75 H47 0.0115 -3.8810 5.9483 H 1 UNK 0.0000 76 H48 -0.3101 -2.3792 5.1150 H 1 UNK 0.0000 77 H49 -0.0178 -1.1599 7.2504 H 1 UNK 0.0000 78 H50 0.2279 -2.6847 8.0676 H 1 UNK 0.0000 79 H51 -2.2617 -1.8923 6.5585 H 1 UNK 0.0000 80 H52 -2.1036 -1.9357 8.2981 H 1 UNK 0.0000 81 H53 -2.0160 -3.4171 7.3756 H 1 UNK 0.0000 @BOND 1 1 2 1 2 2 3 1 3 3 4 1 4 4 5 1 5 5 6 1 6 5 10 1 7 5 14 1 8 6 7 1 9 7 8 1 10 8 9 1 11 10 11 1 12 11 12 1 13 12 13 1 14 14 15 1 15 15 16 1 16 15 20 1 17 15 24 1 18 16 17 1 19 17 18 1 20 18 19 1 21 20 21 1 22 21 22 1 23 22 23 1 24 24 25 1 25 25 26 1 26 26 27 1 27 1 28 1 28 1 29 1 29 1 30 1 30 2 31 1 31 2 32 1 32 3 33 1 33 3 34 1 34 4 35 1 35 4 36 1 36 6 37 1 37 6 38 1 38 7 39 1 39 7 40 1 40 8 41 1 41 8 42 1 42 9 43 1 43 9 44 1 44 9 45 1 45 10 46 1 46 10 47 1 47 11 48 1 48 11 49 1 49 12 50 1 50 12 51 1 51 13 52 1 52 13 53 1 53 13 54 1 54 16 55 1 55 16 56 1 56 17 57 1 57 17 58 1 58 18 59 1 59 18 60 1 60 19 61 1 61 19 62 1 62 19 63 1 63 20 64 1 64 20 65 1 65 21 66 1 66 21 67 1 67 22 68 1 68 22 69 1 69 23 70 1 70 23 71 1 71 23 72 1 72 24 73 1 73 24 74 1 74 25 75 1 75 25 76 1 76 26 77 1 77 26 78 1 78 27 79 1 79 27 80 1 80 27 81 1