RDKit 3D 46 49 0 0 0 0 0 0 0 0999 V2000 -4.6428 3.6055 -0.0557 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3377 3.1356 -0.4144 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3439 2.0034 -1.1727 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3398 1.3861 -1.5190 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9266 1.6214 -1.5933 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7203 0.0942 -1.5598 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1725 -0.1057 -0.2035 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8880 1.1294 0.4325 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8784 2.1039 -0.6274 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4455 -1.2003 0.5922 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1169 -2.4195 0.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1674 -3.1987 1.3312 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5082 -2.5050 2.3277 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9949 -1.3055 1.8502 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.6047 -2.7884 -0.9558 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.6849 -0.3120 -2.6476 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6643 -1.5013 -2.2120 S 0 0 0 0 0 0 0 0 0 0 0 0 1.8767 -0.3768 -1.4326 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2472 -0.9748 -1.3020 N 0 0 0 0 0 4 0 0 0 0 0 0 3.6351 -0.9260 -0.0833 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8652 -1.3838 0.5533 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9512 -1.1805 1.8824 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8990 -0.5554 2.6886 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7353 -0.1039 2.1761 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5764 -0.2718 0.7364 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6180 0.0541 -0.0392 N 0 0 0 0 0 4 0 0 0 0 0 0 4.0843 -0.3899 4.1441 N 0 0 0 0 0 4 0 0 0 0 0 0 3.2102 0.2277 4.7607 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1067 -0.8754 4.6346 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.1503 2.8710 0.5750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5268 4.5323 0.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2303 3.8207 -0.9541 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7611 2.0650 -2.5804 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6654 -0.4328 -1.7145 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6322 1.3346 1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1940 3.0316 -0.2909 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9106 -2.9572 -1.6806 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1628 -3.6474 -0.8995 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2413 -0.7713 -3.4752 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1957 0.5616 -3.0928 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9953 0.5256 -2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7867 -1.3998 -2.0600 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6670 -1.8553 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8551 -1.5040 2.4061 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 0.3469 2.7612 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7295 0.4917 0.2636 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 7 10 1 0 10 11 1 0 11 12 2 0 12 13 1 0 13 14 1 0 11 15 1 0 6 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 23 27 1 0 27 28 2 0 27 29 1 0 9 5 1 0 14 10 2 0 26 18 1 0 25 20 1 0 1 30 1 0 1 31 1 0 1 32 1 0 5 33 1 6 6 34 1 1 8 35 1 0 9 36 1 0 15 37 1 0 15 38 1 0 16 39 1 0 16 40 1 0 18 41 1 6 19 42 1 0 21 43 1 0 22 44 1 0 24 45 1 0 26 46 1 0 M CHG 4 19 1 26 1 27 1 29 -1 M END