@MOLECULE FDBD01847 95 102 0 0 0 SMALL USER_CHARGES @ATOM 1 C -0.7680 2.9908 -3.0088 C.3 1 UNK -0.0461 2 C1 -0.3555 1.5897 -3.3797 C.2 1 UNK -0.0774 3 C2 -0.9926 0.5469 -2.8526 C.2 1 UNK 0.0293 4 C3 -2.1265 0.7673 -1.8848 C.3 1 UNK -0.0333 5 C4 -0.5903 -0.8194 -3.2143 C.2 1 UNK 0.3348 6 O 0.3242 -0.9972 -3.9948 O.2 1 UNK -0.2453 7 O1 -1.2356 -1.8756 -2.6803 O.3 1 UNK -0.4573 8 C5 -0.7847 -3.1959 -3.0828 C.3 1 UNK 0.1153 9 C6 0.3150 -3.6680 -2.1285 C.3 1 UNK 0.0234 10 C7 -0.1750 -3.9172 -0.6928 C.3 1 UNK 0.1246 11 C8 -1.2817 -4.9530 -0.7479 C.3 1 UNK 0.1334 12 C9 -2.1206 -5.1982 0.5084 C.3 1 UNK 0.0677 13 O2 -3.5066 -5.3431 0.0687 O.3 1 UNK -0.3724 14 C10 -3.5554 -5.2321 -1.3509 C.3 1 UNK 0.0899 15 C11 -2.3696 -4.3023 -1.6269 C.3 1 UNK 0.0207 16 C12 -1.9678 -4.1672 -3.0494 C.3 1 UNK 0.0467 17 C13 -1.6047 -5.4745 -3.7609 C.3 1 UNK 0.0613 18 O3 -1.8428 -5.2060 -5.1568 O.3 1 UNK -0.3391 19 C14 -2.7805 -4.1297 -5.2959 C.3 1 UNK 0.2720 20 C15 -3.1775 -3.6715 -3.8679 C.3 1 UNK 0.0462 21 C16 -4.4626 -4.4117 -3.5027 C.3 1 UNK 0.0395 22 C17 -4.3856 -5.8240 -4.0862 C.3 1 UNK -0.0538 23 C18 -4.7459 -4.5465 -1.9981 C.3 1 UNK 0.0902 24 O4 -4.8894 -3.2497 -1.4153 O.3 1 UNK -0.3886 25 C19 -5.6381 -3.6865 -4.1609 C.3 1 UNK 0.1334 26 C20 -6.9688 -4.4561 -4.3135 C.3 1 UNK 0.0955 27 C21 -7.9938 -3.3523 -4.6931 C.3 1 UNK -0.0149 28 C22 -7.5645 -2.2201 -3.7233 C.3 1 UNK 0.0316 29 C23 -6.0187 -2.2377 -3.8033 C.3 1 UNK 0.1055 30 C24 -5.2421 -1.4233 -2.7666 C.3 1 UNK -0.0326 31 O5 -5.3952 -2.5836 -5.0395 O.3 1 UNK -0.3578 32 C25 -7.9633 -2.6458 -2.3135 C.3 1 UNK 0.1545 33 C26 -9.4415 -2.9653 -2.2240 C.2 1 UNK -0.0121 34 C27 -9.5438 -4.0256 -1.4401 C.2 1 UNK 0.0870 35 O6 -8.3395 -4.4550 -0.9757 O.2 1 UNK -0.4680 36 C28 -7.3395 -4.0093 -1.9387 C.3 1 UNK 0.2342 37 O7 -7.3558 -4.9539 -3.0305 O.3 1 UNK -0.3329 38 O8 -7.5889 -1.6450 -1.3648 O.3 1 UNK -0.3778 39 C29 -2.1406 -2.9866 -6.0408 C.2 1 UNK 0.3675 40 O9 -1.0392 -3.1187 -6.5197 O.2 1 UNK -0.2447 41 O10 -2.7944 -1.8216 -6.1723 O.3 1 UNK -0.4642 42 C30 -2.1174 -0.7646 -6.9022 C.3 1 UNK 0.0818 43 O11 -3.9386 -4.5828 -5.9998 O.3 1 UNK -0.3560 44 C31 -0.7861 -6.2434 -1.3484 C.2 1 UNK 0.3193 45 O12 0.3577 -6.3333 -1.7273 O.2 1 UNK -0.2500 46 O13 -1.6153 -7.2928 -1.4621 O.3 1 UNK -0.4674 47 C32 -1.0698 -8.5033 -2.0499 C.3 1 UNK 0.0817 48 O14 -0.6861 -2.6813 -0.1273 O.3 1 UNK -0.4602 49 C33 0.1897 -1.9027 0.5273 C.2 1 UNK 0.3042 50 O15 1.3451 -2.2426 0.6245 O.2 1 UNK -0.2512 51 C34 -0.2680 -0.6047 1.1409 C.3 1 UNK 0.0332 52 H -0.1485 3.6936 -3.5257 H 1 UNK 0.0272 53 H1 -0.6581 3.1273 -1.9532 H 1 UNK 0.0272 54 H2 -1.7902 3.1463 -3.2841 H 1 UNK 0.0272 55 H3 0.4210 1.4388 -4.0425 H 1 UNK 0.0574 56 H4 -2.2755 1.8174 -1.7431 H 1 UNK 0.0280 57 H5 -1.8885 0.3110 -0.9467 H 1 UNK 0.0280 58 H6 -3.0206 0.3300 -2.2774 H 1 UNK 0.0280 59 H7 -0.3914 -3.1597 -4.0773 H 1 UNK 0.0742 60 H8 1.0800 -2.9205 -2.0990 H 1 UNK 0.0337 61 H9 0.6721 -4.6045 -2.5031 H 1 UNK 0.0337 62 H10 0.6299 -4.2658 -0.0800 H 1 UNK 0.0747 63 H11 -2.0315 -4.3688 1.1785 H 1 UNK 0.0572 64 H12 -1.7888 -6.0733 1.0270 H 1 UNK 0.0572 65 H13 -3.5801 -6.2261 -1.7463 H 1 UNK 0.0625 66 H14 -2.5897 -3.2801 -1.3998 H 1 UNK 0.0347 67 H15 -2.2257 -6.2759 -3.4190 H 1 UNK 0.0568 68 H16 -0.5949 -5.7732 -3.5713 H 1 UNK 0.0568 69 H17 -3.3659 -2.6279 -3.7251 H 1 UNK 0.0373 70 H18 -3.5685 -6.3506 -3.6390 H 1 UNK 0.0237 71 H19 -4.2358 -5.7652 -5.1440 H 1 UNK 0.0237 72 H20 -5.2986 -6.3439 -3.8836 H 1 UNK 0.0237 73 H21 -5.6437 -5.1090 -1.8482 H 1 UNK 0.0626 74 H22 -4.0745 -2.7416 -1.5524 H 1 UNK 0.2099 75 H23 -6.9042 -5.2604 -5.0162 H 1 UNK 0.0627 76 H24 -8.9997 -3.6681 -4.5107 H 1 UNK 0.0296 77 H25 -7.9903 -3.0780 -5.7273 H 1 UNK 0.0296 78 H26 -7.9943 -1.2678 -3.9541 H 1 UNK 0.0363 79 H27 -5.8591 -1.2574 -1.9083 H 1 UNK 0.0258 80 H28 -4.9604 -0.4822 -3.1906 H 1 UNK 0.0258 81 H29 -4.3637 -1.9608 -2.4759 H 1 UNK 0.0258 82 H30 -10.2139 -2.4574 -2.6828 H 1 UNK 0.0633 83 H31 -10.4410 -4.4786 -1.2059 H 1 UNK 0.1022 84 H32 -6.3190 -3.9373 -1.6251 H 1 UNK 0.1090 85 H33 -6.6398 -1.4619 -1.4455 H 1 UNK 0.2109 86 H34 -2.7421 0.1035 -6.9341 H 1 UNK 0.0661 87 H35 -1.9134 -1.0940 -7.8996 H 1 UNK 0.0661 88 H36 -1.1978 -0.5244 -6.4108 H 1 UNK 0.0661 89 H37 -4.3448 -5.3180 -5.5147 H 1 UNK 0.2133 90 H38 -1.8283 -9.2573 -2.0821 H 1 UNK 0.0661 91 H39 -0.2485 -8.8487 -1.4574 H 1 UNK 0.0661 92 H40 -0.7306 -8.2959 -3.0433 H 1 UNK 0.0661 93 H41 -1.3133 -0.4715 0.9553 H 1 UNK 0.0342 94 H42 0.2776 0.2070 0.7068 H 1 UNK 0.0342 95 H43 -0.0933 -0.6279 2.1963 H 1 UNK 0.0342 @BOND 1 1 2 1 2 2 3 2 3 3 4 1 4 3 5 1 5 5 6 2 6 5 7 1 7 7 8 1 8 8 16 1 9 8 9 1 10 9 10 1 11 10 11 1 12 10 48 1 13 11 15 1 14 11 12 1 15 11 44 1 16 12 13 1 17 13 14 1 18 14 23 1 19 14 15 1 20 15 16 1 21 16 20 1 22 16 17 1 23 17 18 1 24 18 19 1 25 19 20 1 26 19 39 1 27 19 43 1 28 20 21 1 29 21 22 1 30 21 23 1 31 21 25 1 32 23 24 1 33 25 29 1 34 25 31 1 35 25 26 1 36 26 37 1 37 26 27 1 38 27 28 1 39 28 29 1 40 28 32 1 41 29 30 1 42 29 31 1 43 32 36 1 44 32 33 1 45 32 38 1 46 33 34 2 47 34 35 1 48 35 36 1 49 36 37 1 50 39 40 2 51 39 41 1 52 41 42 1 53 44 45 2 54 44 46 1 55 46 47 1 56 48 49 1 57 49 50 2 58 49 51 1 59 1 52 1 60 1 53 1 61 1 54 1 62 2 55 1 63 4 56 1 64 4 57 1 65 4 58 1 66 8 59 1 67 9 60 1 68 9 61 1 69 10 62 1 70 12 63 1 71 12 64 1 72 14 65 1 73 15 66 1 74 17 67 1 75 17 68 1 76 20 69 1 77 22 70 1 78 22 71 1 79 22 72 1 80 23 73 1 81 24 74 1 82 26 75 1 83 27 76 1 84 27 77 1 85 28 78 1 86 30 79 1 87 30 80 1 88 30 81 1 89 33 82 1 90 34 83 1 91 36 84 1 92 38 85 1 93 42 86 1 94 42 87 1 95 42 88 1 96 43 89 1 97 47 90 1 98 47 91 1 99 47 92 1 100 51 93 1 101 51 94 1 102 51 95 1