@MOLECULE 76959020 67 66 1 SMALL USER_CHARGES @ATOM 1 N1 6.1719 -7.1810 -0.3466 N.3 1 noname 0.0000 2 C1 5.8172 -6.0098 0.4534 C.3 1 noname 0.0000 3 C2 5.8276 -4.7637 -0.4343 C.3 1 noname 0.0000 4 C3 6.1620 -8.3717 0.5016 C.3 1 noname 0.0000 5 C4 5.4564 -3.5380 0.4029 C.3 1 noname 0.0000 6 C5 7.5069 -6.9977 -0.9137 C.3 1 noname 0.0000 7 C6 5.2014 -7.3448 -1.4277 C.3 1 noname 0.0000 8 C7 5.4668 -2.2919 -0.4848 C.3 1 noname 0.0000 9 C8 5.0957 -1.0663 0.3524 C.3 1 noname 0.0000 10 C9 7.1776 -8.2004 1.6330 C.3 1 noname 0.0000 11 C10 5.1060 0.1798 -0.5353 C.3 1 noname 0.0000 12 C11 4.7349 1.4055 0.3019 C.3 1 noname 0.0000 13 C12 4.7453 2.6516 -0.5858 C.3 1 noname 0.0000 14 C13 4.3984 3.7972 0.1967 C.2 1 noname 0.0000 15 C14 4.3441 4.9987 -0.3711 C.2 1 noname 0.0000 16 C15 4.6327 5.1450 -1.7640 C.3 1 noname 0.0000 17 C16 6.5795 4.9004 -5.0752 C.3 1 noname 0.0000 18 C17 5.9027 4.2835 -6.3009 C.3 1 noname 0.0000 19 C18 5.5607 5.7342 -4.2957 C.3 1 noname 0.0000 20 C19 5.7461 6.0268 -1.9302 C.2 1 noname 0.0000 21 C20 6.9215 3.4497 -7.0805 C.3 1 noname 0.0000 22 C21 6.1933 6.3107 -3.1501 C.2 1 noname 0.0000 23 C22 6.2447 2.8328 -8.3061 C.3 1 noname 0.0000 24 H1 4.8219 -6.1465 0.8762 H 1 noname 0.0000 25 H2 6.5408 -5.8877 1.2594 H 1 noname 0.0000 26 H3 5.1040 -4.8858 -1.2403 H 1 noname 0.0000 27 H4 6.8229 -4.6271 -0.8571 H 1 noname 0.0000 28 H5 5.1666 -8.5084 0.9244 H 1 noname 0.0000 29 H6 6.4264 -9.2449 -0.0948 H 1 noname 0.0000 30 H7 4.4611 -3.6747 0.8257 H 1 noname 0.0000 31 H8 6.1800 -3.4160 1.2089 H 1 noname 0.0000 32 H9 5.4658 -8.2179 -2.0242 H 1 noname 0.0000 33 H10 4.2061 -7.4814 -1.0049 H 1 noname 0.0000 34 H11 5.2088 -6.4570 -2.0601 H 1 noname 0.0000 35 H12 7.7713 -7.8709 -1.5102 H 1 noname 0.0000 36 H13 7.5142 -6.1100 -1.5461 H 1 noname 0.0000 37 H14 8.2304 -6.8757 -0.1077 H 1 noname 0.0000 38 H15 4.7433 -2.4140 -1.2908 H 1 noname 0.0000 39 H16 6.4621 -2.1553 -0.9076 H 1 noname 0.0000 40 H17 4.1004 -1.2029 0.7752 H 1 noname 0.0000 41 H18 5.8192 -0.9442 1.1584 H 1 noname 0.0000 42 H19 7.1702 -9.0881 2.2654 H 1 noname 0.0000 43 H20 6.9132 -7.3272 2.2295 H 1 noname 0.0000 44 H21 8.1729 -8.0638 1.2102 H 1 noname 0.0000 45 H22 4.3825 0.0578 -1.3413 H 1 noname 0.0000 46 H23 6.1013 0.3165 -0.9581 H 1 noname 0.0000 47 H24 3.7396 1.2689 0.7247 H 1 noname 0.0000 48 H25 5.4584 1.5276 1.1079 H 1 noname 0.0000 49 H26 4.0217 2.5296 -1.3919 H 1 noname 0.0000 50 H27 5.7406 2.7883 -1.0086 H 1 noname 0.0000 51 H28 4.1986 3.6959 1.1610 H 1 noname 0.0000 52 H29 4.1040 5.7918 0.1706 H 1 noname 0.0000 53 H30 3.7625 5.5584 -2.2739 H 1 noname 0.0000 54 H31 4.8741 4.1708 -2.1893 H 1 noname 0.0000 55 H32 6.9653 4.1068 -4.4353 H 1 noname 0.0000 56 H33 7.4017 5.5394 -5.3973 H 1 noname 0.0000 57 H34 5.0805 3.6444 -5.9788 H 1 noname 0.0000 58 H35 5.5169 5.0771 -6.9408 H 1 noname 0.0000 59 H36 4.7385 5.0951 -3.9736 H 1 noname 0.0000 60 H37 5.1749 6.5277 -4.9356 H 1 noname 0.0000 61 H38 7.3073 2.6561 -6.4405 H 1 noname 0.0000 62 H39 7.7437 4.0887 -7.4025 H 1 noname 0.0000 63 H40 6.1840 6.4260 -1.1371 H 1 noname 0.0000 64 H41 6.9641 6.9212 -3.2651 H 1 noname 0.0000 65 H42 6.9705 2.2388 -8.8615 H 1 noname 0.0000 66 H43 5.4225 2.1938 -7.9840 H 1 noname 0.0000 67 H44 5.8589 3.6264 -8.9461 H 1 noname 0.0000 @BOND 1 1 2 1 2 1 4 1 3 1 6 1 4 1 7 1 5 2 3 1 6 2 24 1 7 2 25 1 8 3 5 1 9 3 26 1 10 3 27 1 11 4 10 1 12 4 28 1 13 4 29 1 14 5 8 1 15 5 30 1 16 5 31 1 17 6 35 1 18 6 36 1 19 6 37 1 20 7 32 1 21 7 33 1 22 7 34 1 23 8 9 1 24 8 38 1 25 8 39 1 26 9 11 1 27 9 40 1 28 9 41 1 29 10 42 1 30 10 43 1 31 10 44 1 32 11 12 1 33 11 45 1 34 11 46 1 35 12 13 1 36 12 47 1 37 12 48 1 38 13 14 1 39 13 49 1 40 13 50 1 41 14 15 2 42 14 51 1 43 15 16 1 44 15 52 1 45 16 20 1 46 16 53 1 47 16 54 1 48 17 18 1 49 17 19 1 50 17 55 1 51 17 56 1 52 18 21 1 53 18 57 1 54 18 58 1 55 19 22 1 56 19 59 1 57 19 60 1 58 20 22 2 59 20 63 1 60 21 23 1 61 21 61 1 62 21 62 1 63 22 64 1 64 23 65 1 65 23 66 1 66 23 67 1 @SUBSTRUCTURE 1 noname 1