VinSpinIn MOLSOFT 08151815452D 54 61 0 0 0 0 0 0 0 0999 V2000 -10.7792 -1.6763 0.0000 C 0 0 0 -10.7792 -0.2926 0.0000 C 0 0 0 -11.9785 0.3994 0.0000 C 0 0 0 -13.1771 -0.2926 0.0000 C 0 0 0 -13.1771 -1.6763 0.0000 C 0 0 0 -11.9785 -2.3683 0.0000 C 0 0 0 -9.5808 -2.3683 0.0000 O 0 0 0 -9.5808 0.3994 0.0000 O 0 0 0 -8.3825 -0.2926 0.0000 C 0 0 0 -7.1839 0.3994 0.0000 C 0 0 0 -5.9857 -0.2926 0.0000 C 0 0 0 -4.7874 0.3994 0.0000 N 0 0 0 -9.5808 -3.7521 0.0000 C 0 0 0 -8.3825 -4.4441 0.0000 C 0 0 0 -7.6906 -5.6434 0.0000 C 0 0 0 -6.9988 -4.4441 0.0000 C 0 0 0 -3.5226 -0.1636 0.0000 C 0 0 0 -2.5972 0.8645 0.0000 C 0 0 0 -3.2892 2.0640 0.0000 C 0 0 0 -4.6432 1.7756 0.0000 C 0 0 0 -1.2132 0.8645 0.0000 C 0 0 0 -0.5214 2.0640 0.0000 C 0 0 0 -1.2132 3.2623 0.0000 C 0 0 0 -2.5972 3.2623 0.0000 C 0 0 0 0.8625 2.0640 0.0000 O 0 0 0 -14.4926 0.1342 0.0000 N 0 0 0 -15.3065 -0.9844 0.0000 C 0 0 0 -14.4926 -2.1041 0.0000 C 0 0 0 -15.7256 -2.7325 0.0000 C 0 0 0 -13.8641 -3.3380 0.0000 C 0 0 0 1.5543 3.2624 0.0000 C 0 0 0 2.9383 3.2624 0.0000 C 0 0 0 3.6303 4.4608 0.0000 C 0 0 0 5.0488 4.6099 0.0000 C 0 0 0 5.3455 6.0053 0.0000 N 0 0 0 4.1101 6.7185 0.0000 N 0 0 0 3.0500 5.7641 0.0000 N 0 0 0 6.6485 6.5855 0.0000 C 0 0 0 7.8027 5.7469 0.0000 C 0 0 0 9.1059 6.3272 0.0000 N 0 0 0 7.6535 4.3284 0.0000 O 0 0 0 10.2599 5.4888 0.0000 C 0 0 0 11.5631 6.0689 0.0000 C 0 0 0 11.7121 7.4876 0.0000 C 0 0 0 10.5582 8.3260 0.0000 C 0 0 0 9.2549 7.7459 0.0000 C 0 0 0 13.0154 8.0679 0.0000 C 0 0 0 14.1693 7.2293 0.0000 C 0 0 0 15.4725 7.8096 0.0000 N 0 0 0 16.7080 7.0963 0.0000 C 0 0 0 17.7681 8.0508 0.0000 C 0 0 0 17.1878 9.3540 0.0000 C 0 0 0 15.7691 9.2049 0.0000 C 0 0 0 -16.7065 -0.9844 0.0000 N 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 5 6 2 6 1 1 1 7 1 2 8 1 8 9 1 9 10 1 10 11 1 11 12 1 7 13 1 13 14 1 14 15 1 15 16 1 16 14 1 12 17 1 17 18 1 18 19 2 19 20 1 20 12 1 18 21 1 21 22 2 22 23 1 23 24 2 24 19 1 22 25 1 4 26 1 26 27 2 27 28 1 28 5 1 28 29 1 30 28 1 25 31 1 31 32 1 32 33 1 33 34 2 34 35 1 35 36 1 36 37 2 37 33 1 35 38 1 38 39 1 39 40 1 39 41 2 40 42 1 42 43 1 43 44 1 44 45 1 45 46 1 46 40 1 44 47 1 47 48 1 48 49 1 49 50 1 50 51 1 51 52 1 52 53 1 53 49 1 27 54 1 M END > TD020824a > 738.96 g/mol $$$$ VinSpinIC (Inactive Control) MOLSOFT 08151815452D 54 61 0 0 0 0 0 0 0 0999 V2000 -15.4000 2.8540 0.0000 C 0 0 0 -15.4000 4.2289 0.0000 C 0 0 0 -16.5916 4.9164 0.0000 C 0 0 0 -17.7825 4.2289 0.0000 C 0 0 0 -17.7825 2.8540 0.0000 C 0 0 0 -16.5916 2.1664 0.0000 C 0 0 0 -14.2094 2.1664 0.0000 O 0 0 0 -14.2094 4.9164 0.0000 O 0 0 0 -13.0187 4.2289 0.0000 C 0 0 0 -11.8280 4.9164 0.0000 C 0 0 0 -10.6372 4.2289 0.0000 C 0 0 0 -9.4467 4.9164 0.0000 C 0 0 0 -14.2094 0.7915 0.0000 C 0 0 0 -13.0187 0.1040 0.0000 C 0 0 0 -12.3313 -1.0876 0.0000 C 0 0 0 -11.6438 0.1040 0.0000 C 0 0 0 -19.0895 4.6529 0.0000 N 0 0 0 -19.8982 3.5415 0.0000 C 0 0 0 -19.0895 2.4289 0.0000 C 0 0 0 -20.3146 1.8046 0.0000 C 0 0 0 -18.4651 1.2030 0.0000 C 0 0 0 -21.2733 3.5415 0.0000 N 0 0 0 -8.2559 4.2291 0.0000 N 0 0 0 -8.1077 2.8194 0.0000 C 0 0 0 -6.7214 2.5248 0.0000 C 0 0 0 -6.0128 3.7523 0.0000 C 0 0 0 -6.9611 4.8056 0.0000 C 0 0 0 -6.0128 1.2975 0.0000 C 0 0 0 -4.5954 1.2975 0.0000 C 0 0 0 -3.8868 2.5248 0.0000 C 0 0 0 -4.5954 3.7523 0.0000 C 0 0 0 -2.4694 2.5248 0.0000 O 0 0 0 -1.7608 3.7523 0.0000 C 0 0 0 -0.3434 3.7523 0.0000 C 0 0 0 0.3652 4.9798 0.0000 C 0 0 0 0.6049 2.6990 0.0000 N 0 0 0 1.8997 3.2754 0.0000 N 0 0 0 1.7516 4.6850 0.0000 N 0 0 0 2.8049 5.6333 0.0000 C 0 0 0 4.1529 5.1954 0.0000 C 0 0 0 5.2062 6.1437 0.0000 N 0 0 0 4.4475 3.8090 0.0000 O 0 0 0 6.5541 5.7058 0.0000 C 0 0 0 7.6074 6.6542 0.0000 C 0 0 0 7.3128 8.0406 0.0000 C 0 0 0 5.9648 8.4785 0.0000 C 0 0 0 4.9115 7.5302 0.0000 C 0 0 0 8.3660 8.9889 0.0000 C 0 0 0 9.7140 8.5510 0.0000 C 0 0 0 10.7673 9.4993 0.0000 N 0 0 0 12.1537 9.2045 0.0000 C 0 0 0 12.8624 10.4320 0.0000 C 0 0 0 11.9140 11.4853 0.0000 C 0 0 0 10.6192 10.9089 0.0000 C 0 0 0 1 2 2 2 3 1 3 4 2 4 5 1 5 6 2 6 1 1 1 7 1 2 8 1 8 9 1 9 10 1 10 11 1 11 12 1 7 13 1 13 14 1 14 15 1 15 16 1 16 14 1 4 17 1 17 18 2 18 19 1 19 5 1 19 20 1 21 19 1 18 22 1 12 23 1 23 24 1 24 25 1 25 26 2 26 27 1 27 23 1 25 28 1 28 29 2 29 30 1 30 31 2 31 26 1 30 32 1 32 33 1 33 34 1 34 35 2 34 36 1 36 37 2 37 38 1 38 35 1 38 39 1 39 40 1 40 41 1 40 42 2 41 43 1 43 44 1 44 45 1 45 46 1 46 47 1 47 41 1 45 48 1 48 49 1 49 50 1 50 51 1 51 52 1 52 53 1 53 54 1 54 50 1 M END > TD020826a > 738.96 g/mol $$$$