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4.2633 1.2764 C.3 1 UNL1111111111 -0.3412 37 C -2.6139 4.0625 1.9380 C.3 1 UNL1111111111 -0.2485 38 C -2.6087 2.7918 2.7968 C.3 1 UNL1111111111 -0.3292 39 C -3.0028 1.6198 1.8911 C.3 1 UNL1111111111 0.1340 40 O -4.3303 1.8443 1.4222 O.3 1 UNL1111111111 -0.4601 41 C -3.1030 0.2678 2.6078 C.3 1 UNL1111111111 -0.3038 42 C -3.1459 -0.8338 1.5464 C.3 1 UNL1111111111 -0.2824 43 C -3.5491 -2.2153 2.0967 C.3 1 UNL1111111111 -0.0689 44 C -2.4437 -2.8118 2.9767 C.3 1 UNL1111111111 -0.4526 45 C -3.8124 -3.0935 0.9080 C.2 1 UNL1111111111 -0.2079 46 C -4.9484 -3.0993 0.1998 C.2 1 UNL1111111111 -0.0517 47 C -6.1531 -2.2833 0.5130 C.3 1 UNL1111111111 -0.4439 48 C -5.0461 -3.9782 -1.0276 C.3 1 UNL1111111111 0.1696 49 C -4.2343 -3.3898 -2.1815 C.3 1 UNL1111111111 -0.5070 50 O -6.3883 -4.1679 -1.4318 O.3 1 UNL1111111111 -0.5659 51 H 0.2700 -1.9245 1.4610 H 1 UNL1111111111 0.1778 52 H 1.3407 -4.2532 -0.2902 H 1 UNL1111111111 0.1598 53 H 1.3758 -4.1426 1.4815 H 1 UNL1111111111 0.1453 54 H -0.1583 -4.3480 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1 UNL1111111111 0.1905 74 H 3.5004 4.3756 -0.4196 H 1 UNL1111111111 0.1707 75 H 1.4251 2.0665 -0.2170 H 1 UNL1111111111 0.1640 76 H 1.1115 5.1529 -0.2831 H 1 UNL1111111111 0.1615 77 H -0.1448 3.9395 -0.5748 H 1 UNL1111111111 0.1756 78 H 0.4882 4.1825 1.0598 H 1 UNL1111111111 0.1779 79 H 0.1355 -0.0346 -0.6345 H 1 UNL1111111111 0.3363 80 H -1.3628 -0.7622 -2.9024 H 1 UNL1111111111 0.1388 81 H -2.5579 -0.7118 -1.5828 H 1 UNL1111111111 0.1529 82 H -1.3640 1.6889 -1.0211 H 1 UNL1111111111 0.1521 83 H -0.8070 1.5796 -2.6948 H 1 UNL1111111111 0.1384 84 H -2.8823 2.7879 -2.8152 H 1 UNL1111111111 0.1536 85 H -3.3159 1.1600 -3.3474 H 1 UNL1111111111 0.1490 86 H -3.8208 0.7769 -0.6809 H 1 UNL1111111111 0.1412 87 H -5.6052 2.6024 -2.4521 H 1 UNL1111111111 0.1418 88 H -6.8657 0.3971 -2.8448 H 1 UNL1111111111 0.1459 89 H -5.2553 0.3977 -3.5595 H 1 UNL1111111111 0.1438 90 H -5.5467 -0.4690 -2.0443 H 1 UNL1111111111 0.1496 91 H -6.2696 0.8759 0.0340 H 1 UNL1111111111 0.1554 92 H -7.4238 1.8602 -0.8828 H 1 UNL1111111111 0.1361 93 H -6.5743 3.0232 1.2087 H 1 UNL1111111111 0.1560 94 H -6.2158 3.9495 -0.2650 H 1 UNL1111111111 0.1492 95 H -3.9273 5.0715 0.5234 H 1 UNL1111111111 0.1532 96 H -4.7234 4.5799 2.0329 H 1 UNL1111111111 0.1518 97 H -1.8336 3.9912 1.1557 H 1 UNL1111111111 0.1378 98 H -2.3596 4.9442 2.5533 H 1 UNL1111111111 0.1303 99 H -1.6181 2.6234 3.2498 H 1 UNL1111111111 0.1414 100 H -3.3268 2.8847 3.6314 H 1 UNL1111111111 0.1515 101 H -2.3181 1.5599 1.0134 H 1 UNL1111111111 0.1310 102 H -2.2492 0.1271 3.2920 H 1 UNL1111111111 0.1434 103 H -4.0165 0.2425 3.2327 H 1 UNL1111111111 0.1546 104 H -3.8754 -0.5448 0.7580 H 1 UNL1111111111 0.1516 105 H -2.1666 -0.9094 1.0369 H 1 UNL1111111111 0.1495 106 H -4.4739 -2.1099 2.7154 H 1 UNL1111111111 0.1369 107 H -2.2333 -2.1720 3.8388 H 1 UNL1111111111 0.1380 108 H -2.7342 -3.7979 3.3544 H 1 UNL1111111111 0.1415 109 H -1.5092 -2.9363 2.4178 H 1 UNL1111111111 0.1462 110 H -2.9632 -3.7103 0.6043 H 1 UNL1111111111 0.1641 111 H -6.0637 -1.7367 1.4619 H 1 UNL1111111111 0.1552 112 H -6.3449 -1.5341 -0.2677 H 1 UNL1111111111 0.1453 113 H -7.0483 -2.9214 0.5942 H 1 UNL1111111111 0.1643 114 H -4.7384 -5.0275 -0.7998 H 1 UNL1111111111 0.1441 115 H -3.1628 -3.3397 -1.9223 H 1 UNL1111111111 0.1931 116 H -4.3240 -4.0092 -3.0798 H 1 UNL1111111111 0.1531 117 H -4.5549 -2.3758 -2.4328 H 1 UNL1111111111 0.1413 118 H -6.7736 -3.3393 -1.7703 H 1 UNL1111111111 0.3091 @BOND 1 1 2 2 2 2 3 1 3 2 25 am 4 3 4 1 5 3 5 1 6 3 51 1 7 4 52 1 8 4 53 1 9 4 54 1 10 5 6 1 11 5 7 1 12 5 55 1 13 6 56 1 14 7 8 1 15 7 57 1 16 7 58 1 17 8 9 am 18 8 59 1 19 9 10 2 20 9 11 1 21 11 12 1 22 11 60 1 23 11 61 1 24 12 13 1 25 12 17 1 26 12 62 1 27 13 14 1 28 13 15 1 29 13 63 1 30 14 64 1 31 14 65 1 32 14 66 1 33 15 16 1 34 15 67 1 35 15 68 1 36 16 18 1 37 16 69 1 38 16 70 1 39 17 18 1 40 18 19 1 41 18 71 1 42 19 20 1 43 19 72 1 44 19 73 1 45 20 21 2 46 20 22 1 47 22 23 2 48 22 74 1 49 23 24 1 50 23 75 1 51 24 76 1 52 24 77 1 53 24 78 1 54 25 26 1 55 25 79 1 56 26 27 1 57 26 80 1 58 26 81 1 59 27 28 1 60 27 82 1 61 27 83 1 62 28 29 1 63 28 84 1 64 28 85 1 65 29 30 1 66 29 35 1 67 29 86 1 68 30 31 1 69 30 32 1 70 30 87 1 71 31 88 1 72 31 89 1 73 31 90 1 74 32 33 1 75 32 91 1 76 32 92 1 77 33 34 1 78 33 93 1 79 33 94 1 80 34 35 1 81 34 36 1 82 34 40 1 83 36 37 1 84 36 95 1 85 36 96 1 86 37 38 1 87 37 97 1 88 37 98 1 89 38 39 1 90 38 99 1 91 38 100 1 92 39 40 1 93 39 41 1 94 39 101 1 95 41 42 1 96 41 102 1 97 41 103 1 98 42 43 1 99 42 104 1 100 42 105 1 101 43 44 1 102 43 45 1 103 43 106 1 104 44 107 1 105 44 108 1 106 44 109 1 107 45 46 2 108 45 110 1 109 46 47 1 110 46 48 1 111 47 111 1 112 47 112 1 113 47 113 1 114 48 49 1 115 48 50 1 116 48 114 1 117 49 115 1 118 49 116 1 119 49 117 1 120 50 118 1