RDKit 3D 59 61 0 0 0 0 0 0 0 0999 V2000 -2.3282 -4.2277 1.0534 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0532 -2.8207 0.5467 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0546 -2.3418 -0.5260 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4521 -2.0745 0.0493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5516 -1.1792 -1.3006 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1179 -0.0592 -0.5858 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3449 0.0988 0.6175 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4084 1.0172 -1.3458 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7082 1.1108 -2.6559 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4170 0.1149 -3.2400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7988 -1.0613 -2.6669 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5185 -2.1994 -3.6804 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.4663 1.9571 -3.5487 O 0 0 0 0 0 1 0 0 0 0 0 0 -0.5945 2.0398 -0.5617 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4592 2.8591 -1.3073 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3084 2.4013 -2.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3146 3.2321 -2.8197 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5345 4.4714 -2.2331 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7265 4.8582 -1.1721 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7421 4.0614 -0.7554 N 0 0 0 0 0 4 0 0 0 0 0 0 0.0899 1.6470 0.7592 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2956 2.5836 1.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0265 2.2620 2.7953 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6267 1.0667 3.0571 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5175 0.9813 4.4901 S 0 0 0 0 0 0 0 0 0 0 0 0 1.4574 0.0669 2.0904 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7816 0.3335 0.8911 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8117 -0.4199 -0.0819 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1935 -1.2185 2.2110 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3826 -2.4713 1.8580 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5956 -1.1845 1.5547 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6561 -1.2805 0.0366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0300 3.8147 1.7584 O 0 0 0 0 0 1 0 0 0 0 0 0 -3.2665 -4.2806 1.6080 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3700 -4.9470 0.2289 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5246 -4.5406 1.7281 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0495 -2.8122 0.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0318 -2.1455 1.4081 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1581 -3.1835 -1.2186 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4331 -1.3350 0.8599 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9016 -2.9943 0.4391 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1190 -1.6888 -0.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5649 0.2590 -4.2296 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3791 2.7665 -0.2897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1599 1.4091 -2.7503 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9424 2.8879 -3.6385 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3477 5.1016 -2.5716 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8776 5.7628 -0.5991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2625 4.2709 0.1528 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1626 3.0245 3.4522 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3991 -1.3648 3.2778 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1256 -2.5463 0.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4502 -2.4927 2.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9534 -3.3745 2.1087 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 -0.2718 1.8590 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1770 -2.0254 1.9603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6984 -1.3800 -0.2803 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2650 -0.3832 -0.4454 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1130 -2.1554 -0.3372 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 3 5 1 0 5 6 1 0 6 7 2 0 6 8 1 0 8 9 2 0 9 10 1 0 10 11 1 0 11 12 2 0 9 13 1 0 8 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 14 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 2 0 26 29 1 0 29 30 1 0 29 31 1 0 31 32 1 0 22 33 1 0 11 5 1 0 20 15 1 0 27 21 1 0 1 34 1 0 1 35 1 0 1 36 1 0 2 37 1 0 2 38 1 0 3 39 1 6 4 40 1 0 4 41 1 0 4 42 1 0 10 43 1 0 14 44 1 0 16 45 1 0 17 46 1 0 18 47 1 0 19 48 1 0 20 49 1 0 23 50 1 0 29 51 1 1 30 52 1 0 30 53 1 0 30 54 1 0 31 55 1 0 31 56 1 0 32 57 1 0 32 58 1 0 32 59 1 0 M CHG 3 13 -1 20 1 33 -1 M END