@MOLECULE delalutin 71 74 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.8261 0.3735 0.6414 O.3 1 UNL1111111111 -0.4473 2 O 4.2840 -2.5835 -0.5844 O.2 1 UNL1111111111 -0.4497 3 O -6.6230 1.1383 0.8011 O.2 1 UNL1111111111 -0.4686 4 O 4.9054 0.9899 0.0517 O.2 1 UNL1111111111 -0.5142 5 C 1.3494 -1.3171 -0.0160 C.3 1 UNL1111111111 0.0658 6 C 0.5800 -0.3597 -0.9669 C.3 1 UNL1111111111 -0.1488 7 C -0.8878 -0.7603 -1.0901 C.3 1 UNL1111111111 -0.1190 8 C -1.5190 -0.6215 0.3191 C.3 1 UNL1111111111 -0.1290 9 C 2.8064 -0.7692 -0.2072 C.3 1 UNL1111111111 0.1455 10 C 0.7505 -1.1622 1.3849 C.3 1 UNL1111111111 -0.2885 11 C -3.0417 -0.9500 0.3089 C.3 1 UNL1111111111 0.0374 12 C 1.4443 -0.3236 -2.2350 C.3 1 UNL1111111111 -0.2746 13 C -0.7550 -1.4842 1.3446 C.3 1 UNL1111111111 -0.2762 14 C 2.8919 -0.3694 -1.6960 C.3 1 UNL1111111111 -0.3104 15 C -1.6139 0.1659 -2.0726 C.3 1 UNL1111111111 -0.2795 16 C 1.3258 -2.7840 -0.4506 C.3 1 UNL1111111111 -0.4667 17 C -3.7315 -0.1874 -0.8036 C.2 1 UNL1111111111 0.1140 18 C -3.0899 -0.2246 -2.1564 C.3 1 UNL1111111111 -0.3026 19 C -3.6159 -0.5270 1.6861 C.3 1 UNL1111111111 -0.2768 20 C -3.3122 -2.4436 0.0679 C.3 1 UNL1111111111 -0.4536 21 C 3.8911 -1.7619 0.2051 C.2 1 UNL1111111111 0.4659 22 C -5.1415 -0.4803 1.7027 C.3 1 UNL1111111111 -0.3844 23 C -4.8997 0.4513 -0.6381 C.2 1 UNL1111111111 -0.3782 24 C -5.6422 0.4540 0.6275 C.2 1 UNL1111111111 0.4939 25 C 4.4093 -1.6884 1.6038 C.3 1 UNL1111111111 -0.5451 26 C 3.8756 1.2291 0.6269 C.2 1 UNL1111111111 0.6152 27 C 3.5640 2.4478 1.4465 C.3 1 UNL1111111111 -0.3471 28 C 2.0807 2.8284 1.4099 C.3 1 UNL1111111111 -0.2520 29 C 1.6316 3.2070 -0.0070 C.3 1 UNL1111111111 -0.2759 30 C 0.1146 3.4309 -0.0543 C.3 1 UNL1111111111 -0.2494 31 C -0.3420 3.7347 -1.4808 C.3 1 UNL1111111111 -0.4407 32 H 0.6138 0.6684 -0.5142 H 1 UNL1111111111 0.1558 33 H -0.9743 -1.8110 -1.4436 H 1 UNL1111111111 0.1437 34 H -1.4156 0.4500 0.6258 H 1 UNL1111111111 0.1397 35 H 0.9031 -0.1330 1.7627 H 1 UNL1111111111 0.1512 36 H 1.2590 -1.8260 2.1060 H 1 UNL1111111111 0.1395 37 H 1.2612 0.5814 -2.8326 H 1 UNL1111111111 0.1361 38 H 1.2348 -1.1828 -2.8928 H 1 UNL1111111111 0.1454 39 H -1.1790 -1.3320 2.3544 H 1 UNL1111111111 0.1351 40 H -0.8945 -2.5569 1.1151 H 1 UNL1111111111 0.1439 41 H 3.4013 0.5999 -1.8210 H 1 UNL1111111111 0.1607 42 H 3.5039 -1.0988 -2.2616 H 1 UNL1111111111 0.1767 43 H -1.5167 1.2223 -1.7536 H 1 UNL1111111111 0.1493 44 H -1.1455 0.1059 -3.0723 H 1 UNL1111111111 0.1431 45 H 1.8515 -2.9366 -1.4037 H 1 UNL1111111111 0.1675 46 H 0.3037 -3.1532 -0.5839 H 1 UNL1111111111 0.1514 47 H 1.8109 -3.4321 0.2887 H 1 UNL1111111111 0.1511 48 H -3.6139 0.4409 -2.8729 H 1 UNL1111111111 0.1541 49 H -3.1930 -1.2469 -2.5811 H 1 UNL1111111111 0.1583 50 H -3.2183 0.4711 1.9614 H 1 UNL1111111111 0.1479 51 H -3.2582 -1.2211 2.4698 H 1 UNL1111111111 0.1440 52 H -2.7637 -2.8169 -0.8040 H 1 UNL1111111111 0.1493 53 H -4.3780 -2.6316 -0.1088 H 1 UNL1111111111 0.1522 54 H -3.0150 -3.0515 0.9289 H 1 UNL1111111111 0.1500 55 H -5.5758 -1.4866 1.5368 H 1 UNL1111111111 0.1685 56 H -5.5150 -0.1598 2.6959 H 1 UNL1111111111 0.1705 57 H -5.3822 1.0045 -1.4433 H 1 UNL1111111111 0.1785 58 H 5.2739 -1.0024 1.6449 H 1 UNL1111111111 0.1937 59 H 4.7704 -2.6688 1.9485 H 1 UNL1111111111 0.1799 60 H 3.6604 -1.3242 2.3171 H 1 UNL1111111111 0.1706 61 H 4.1905 3.2915 1.0804 H 1 UNL1111111111 0.1796 62 H 3.8883 2.2676 2.4943 H 1 UNL1111111111 0.1733 63 H 1.8963 3.6728 2.1018 H 1 UNL1111111111 0.1402 64 H 1.4644 1.9878 1.7896 H 1 UNL1111111111 0.1524 65 H 2.1610 4.1153 -0.3484 H 1 UNL1111111111 0.1385 66 H 1.9136 2.4077 -0.7218 H 1 UNL1111111111 0.1476 67 H -0.4155 2.5373 0.3286 H 1 UNL1111111111 0.1338 68 H -0.1695 4.2608 0.6198 H 1 UNL1111111111 0.1363 69 H 0.1068 4.6612 -1.8562 H 1 UNL1111111111 0.1438 70 H -0.0614 2.9325 -2.1731 H 1 UNL1111111111 0.1420 71 H -1.4306 3.8536 -1.5326 H 1 UNL1111111111 0.1450 @BOND 1 1 9 1 2 1 26 1 3 2 21 2 4 3 24 2 5 4 26 2 6 5 6 1 7 5 9 1 8 5 10 1 9 5 16 1 10 6 7 1 11 6 12 1 12 6 32 1 13 7 8 1 14 7 15 1 15 7 33 1 16 8 11 1 17 8 13 1 18 8 34 1 19 9 14 1 20 9 21 1 21 10 13 1 22 10 35 1 23 10 36 1 24 11 17 1 25 11 19 1 26 11 20 1 27 12 14 1 28 12 37 1 29 12 38 1 30 13 39 1 31 13 40 1 32 14 41 1 33 14 42 1 34 15 18 1 35 15 43 1 36 15 44 1 37 16 45 1 38 16 46 1 39 16 47 1 40 17 18 1 41 17 23 2 42 18 48 1 43 18 49 1 44 19 22 1 45 19 50 1 46 19 51 1 47 20 52 1 48 20 53 1 49 20 54 1 50 21 25 1 51 22 24 1 52 22 55 1 53 22 56 1 54 23 24 1 55 23 57 1 56 25 58 1 57 25 59 1 58 25 60 1 59 26 27 1 60 27 28 1 61 27 61 1 62 27 62 1 63 28 29 1 64 28 63 1 65 28 64 1 66 29 30 1 67 29 65 1 68 29 66 1 69 30 31 1 70 30 67 1 71 30 68 1 72 31 69 1 73 31 70 1 74 31 71 1