RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 2.7498 2.8451 0.7935 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5679 1.4346 0.3585 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4940 0.5930 -0.2390 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7504 -0.9225 -0.5529 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2843 -0.3712 0.1200 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3188 0.8697 0.5603 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1511 -1.1588 0.1838 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1103 -0.6847 0.6867 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9140 -1.9325 0.7585 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2800 -3.0392 0.3394 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1031 -2.5286 -0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9940 -3.2340 -0.5343 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5698 -4.2633 0.2867 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2632 -1.8240 1.3589 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4658 -1.0020 2.2568 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4076 -2.6303 0.8557 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5009 -3.0620 -0.4743 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6275 -3.7659 -0.9085 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6639 -4.0204 -0.0182 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5984 -3.5847 1.3002 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4717 -2.8846 1.7367 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7476 -4.6884 -0.4376 F 0 0 0 0 0 0 0 0 0 0 0 0 -1.6835 0.4134 -0.1974 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0671 1.6845 0.1945 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5769 2.4629 -0.8831 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5725 1.7636 -2.0678 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9599 0.1797 -1.8786 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8780 0.7895 -0.6095 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5885 0.0009 -1.2225 O 0 0 0 0 0 0 0 0 0 0 0 0 5.3099 2.0093 -0.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6728 2.3380 -0.4649 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7135 3.1700 -1.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1358 4.4399 -1.7681 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8129 3.2563 1.1836 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0629 3.4728 -0.0464 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4986 2.9106 1.5888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9399 -0.2958 1.7002 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6905 -2.8786 -1.1759 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6877 -4.1231 -1.9307 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4172 -3.7930 1.9795 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4144 -2.5405 2.7667 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9832 2.0316 1.2175 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9309 3.4813 -0.7911 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9021 2.1015 -3.0398 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0541 2.8989 0.3956 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3085 1.4517 -0.5693 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3794 2.6809 -2.6232 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1387 4.9787 -2.7109 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4794 4.9698 -0.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 2 0 3 4 1 0 4 5 1 0 5 6 2 0 5 7 1 0 7 8 1 0 8 9 1 0 9 10 2 0 10 11 1 0 11 12 2 0 10 13 1 0 9 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 19 22 1 0 8 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 3 28 1 0 28 29 2 0 28 30 1 0 30 31 1 0 31 32 1 0 32 33 2 0 6 2 1 0 11 7 1 0 21 16 1 0 27 23 1 0 1 34 1 0 1 35 1 0 1 36 1 0 8 37 1 1 17 38 1 0 18 39 1 0 20 40 1 0 21 41 1 0 24 42 1 0 25 43 1 0 26 44 1 0 31 45 1 0 31 46 1 0 32 47 1 0 33 48 1 0 33 49 1 0 M CHG 1 13 -1 M END