RDKit 3D 44 45 0 0 0 0 0 0 0 0999 V2000 3.4087 3.0549 -1.6878 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5164 1.8396 -1.4837 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3797 1.4939 0.0044 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4701 0.2687 0.2752 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0576 -1.0103 -0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6620 -2.1621 0.5819 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2055 -1.5292 1.8465 N 0 0 0 0 0 4 0 0 0 0 0 0 1.4614 -0.0565 1.7740 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0177 0.6361 -0.0922 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4150 1.7620 0.1224 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7985 -0.4037 -0.4676 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.2710 -0.3346 -0.6695 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0480 0.6026 0.2925 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9474 0.0299 1.7019 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7717 -1.7322 1.4804 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.9290 -2.4202 1.9991 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4143 -2.0918 1.8804 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8370 -1.7216 -0.3110 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5592 0.0328 -2.1248 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4953 3.2871 -2.7540 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9968 3.9338 -1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4150 2.8726 -1.2971 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9432 0.9931 -2.0325 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5332 2.0464 -1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3817 1.3025 0.4117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0001 2.3715 0.5444 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7338 -1.1900 -1.3665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1537 -0.9572 -0.3590 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5069 -2.8170 0.8146 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8315 -2.7533 0.1865 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6333 -1.9574 2.6785 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1810 -1.7166 1.9621 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6841 0.4447 2.3587 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4380 0.1038 2.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3593 -1.1085 -1.0474 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 0.6104 0.0025 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7289 1.6467 0.2604 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8403 0.2393 2.2948 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0590 0.3960 2.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2463 -2.5580 -0.6941 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8849 -1.8324 -0.6072 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0846 -0.6776 -2.8113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1696 1.0292 -2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6344 0.0325 -2.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 4 3 1 1 4 5 1 0 5 6 1 0 6 7 1 0 7 8 1 0 4 9 1 0 9 10 2 0 9 11 1 0 12 11 1 1 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 2 0 15 18 1 0 12 19 1 0 8 4 1 0 18 12 1 0 1 20 1 0 1 21 1 0 1 22 1 0 2 23 1 0 2 24 1 0 3 25 1 0 3 26 1 0 5 27 1 0 5 28 1 0 6 29 1 0 6 30 1 0 7 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 11 35 1 0 13 36 1 0 13 37 1 0 14 38 1 0 14 39 1 0 18 40 1 0 18 41 1 0 19 42 1 0 19 43 1 0 19 44 1 0 M CHG 1 7 1 M END